Phenanthrenes and derivatives

Description:

Polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.

Ancestors:

Organic compounds ⮕ Benzenoids ⮕ Phenanthrenes and derivatives

Buprenorphine dimer
Cas Number: 1820753-68-1 Compound CID: 92042890

Formula: C₆₀H₈₄N₂O₈ Molecular Weight: 961.3

IUPAC Name: (2S)-2-[(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-11-[2-[[(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-1show more

SMILES: CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)OCCOC7=C8C9=C(CC1C23C9(CCN1CC1CC1)C(O8)C(CC2)(C(C3)C(C)(C(C)(C)C)O)OC)C=C7)O4)CC1CC1)OC)O

InChIKey: LEQOVFCHMOTJKU-WJVXOHEGSA-N

InChI: InChI=1S/C60H84N2O8/c1-51(2,3)53(7,63)41-31-55-19-21-59(41,65-9)49-57(55)23-25-61(33-35-11-12-35)43(55)29-37-15-17-39(47(69-49)45(37)57)67-27-28-68-40show more

Synonyms: Buprenorphine dimer | CHEMBL4594402 | UNII-SE6KE496VO | 6,14-ETHENOMORPHINAN-7-METHANOL, 3,3'-(1,2-ETHANEDIYLBIS(OXY)...

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2-Nitrophenanthrene-9,10-dione
Cas Number: 604-95-5 Compound CID: 94860

Formula: C₁₄H₇NO₄ Molecular Weight: 253.21

IUPAC Name: 2-nitrophenanthrene-9,10-dione

SMILES: C1=CC=C2C(=C1)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=O

InChIKey: KNAXWOBOCVVMST-UHFFFAOYSA-N

InChI: InChI=1S/C14H7NO4/c16-13-11-4-2-1-3-9(11)10-6-5-8(15(18)19)7-12(10)14(13)17/h1-7H

Synonyms: 2-nitrophenanthrene-9,10-dione | 2-Nitrophenanthraquinone | 2-Nitro-9,10-phenanthrenedione | NSC-23180 | 9,10-Phenant...

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2-Bromophenanthrene-9,10-dione
Cas Number: 53622-33-6 Compound CID: 12678912

Formula: C₁₄H₇BrO₂ Molecular Weight: 287.11

IUPAC Name: 2-bromophenanthrene-9,10-dione

SMILES: C1=CC=C2C(=C1)C3=C(C=C(C=C3)Br)C(=O)C2=O

InChIKey: DSHTXZUCUCBRAF-UHFFFAOYSA-N

InChI: InChI=1S/C14H7BrO2/c15-8-5-6-10-9-3-1-2-4-11(9)13(16)14(17)12(10)7-8/h1-7H

Synonyms: 2-Bromophenanthrene-9,10-dione | 2-BroMo-9,10-phenanthrenequinone | 2-Bromo-9,10-phenanthrenedione | 9,10-Phenanthren...

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2-Aminophenanthrene-9,10-dione
Cas Number: 36043-49-9 Compound CID: 254021

Formula: C₁₄H₉NO₂ Molecular Weight: 223.23

IUPAC Name: 2-aminophenanthrene-9,10-dione

SMILES: C1=CC=C2C(=C1)C3=C(C=C(C=C3)N)C(=O)C2=O

InChIKey: HENHQTJCDFNZOI-UHFFFAOYSA-N

InChI: InChI=1S/C14H9NO2/c15-8-5-6-10-9-3-1-2-4-11(9)13(16)14(17)12(10)7-8/h1-7H,15H2

Synonyms: 2-aminophenanthrene-9,10-dione | 2-AMINO-9,10-DIHYDROPHENANTHRENE-9,10-DIONE | 2-Amino-phenanthrene-9,10-dione | PD08...

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Demethoxyviridin
Cas Number: 56660-21-0 Compound CID: 124337

Formula: C₁₉H₁₄O₅ Molecular Weight: 322.3

IUPAC Name: (1R,18R)-18-hydroxy-1-methyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),3,5(9),12(19),14-pentaene-6,11,16-trione

SMILES: CC12C(CC(=O)C3=COC(=C31)C(=O)C4=C2C=CC5=C4CCC5=O)O

InChIKey: SWJBYJJNDIXFSA-KUHUBIRLSA-N

InChI: InChI=1S/C19H14O5/c1-19-11-4-2-8-9(3-5-12(8)20)15(11)17(23)18-16(19)10(7-24-18)13(21)6-14(19)22/h2,4,7,14,22H,3,5-6H2,1H3/t14-,19+/m1/s1

Synonyms: Demethoxyviridin | (1r,11br)-1-hydroxy-11b-methyl-1,7,8,11b-tetrahydrocyclopenta[7,8]phenanthro[10,1-bc]furan-3,6,9(2...

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Cyprodime
Cas Number: 118111-54-9 Compound CID: 5748293

Formula: C₂₂H₂₉NO₃ Molecular Weight: 355.5

IUPAC Name: (1R,9R,10S)-17-(cyclopropylmethyl)-3,10-dimethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one

SMILES: COC1=CC=CC2=C1C34CCN(C(C2)C3(CCC(=O)C4)OC)CC5CC5

InChIKey: INUCRGMCKDQKNA-CEMLEFRQSA-N

InChI: InChI=1S/C22H29NO3/c1-25-18-5-3-4-16-12-19-22(26-2)9-8-17(24)13-21(22,20(16)18)10-11-23(19)14-15-6-7-15/h3-5,15,19H,6-14H2,1-2H3/t19-,21-,22-/m1/s1

Synonyms: Cyprodime | 2C6F5L8S8X | (1R,9R,10S)-17-(cyclopropylmethyl)-3,10-dimethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadec...

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Clocinnamox
Formula: C₂₉H₂₉ClN₂O₄ Molecular Weight: 505

IUPAC Name: (E)-N-[(4R,4aS,7aR,12bR)-3-(cyclopropylmethyl)-9-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-3-(4-chlorophshow more

SMILES: C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)O)O5)NC(=O)C=CC7=CC=C(C=C7)Cl

InChIKey: RAURUSFBVQLAPW-DNIKMYEQSA-N

InChI: InChI=1S/C29H29ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-18-1-2-18)23(29)15-19-6-9-21(33)26(36-27)25(19)28/h3-10,1show more

Synonyms: clocinnamox | C-CAM | 14beta-4''-Chlorocinnamoylaminodihydronormorphinone | 1N-[4-cyclopropylmethyl-10-hydroxy-14-oxo...

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7-Benzylidenenaltrexone
Cas Number: 153611-34-8

Formula: C₂₇H₂₇NO₄ Molecular Weight: 429.5

IUPAC Name: (4R,4aS,6E,7aR,12bS)-6-benzylidene-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

SMILES: C1CC1CN2CCC34C5C(=O)C(=CC6=CC=CC=C6)CC3(C2CC7=C4C(=C(C=C7)O)O5)O

InChIKey: WXOUFNFMPVMGFZ-BDQAUFNLSA-N

InChI: InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,2show more

Synonyms: BNTX | 7-benzylidenenaltrexone | 7(E)-Benzylidenenaltrexone | (E)-7-Benzylidenenaltrexone | 7-Benzylidine-7-dehydrona...

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3-Bromoperylene
- ≥95%
Cas Number: 23683-68-3 Compound CID: 11809703

Formula: C₂₀H₁₁Br Molecular Weight: 331.21

IUPAC Name: 3-bromoperylene

SMILES: C1=CC2=C3C(=C1)C4=C5C(=CC=C4)C(=CC=C5C3=CC=C2)Br

InChIKey: GPBMCEWKAPSTOU-UHFFFAOYSA-N

InChI: InChI=1S/C20H11Br/c21-18-11-10-16-14-7-2-5-12-4-1-6-13(19(12)14)15-8-3-9-17(18)20(15)16/h1-11H
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Phenanthrene-9-carboxylic acid
- ≥97%
Cas Number: 837-45-6 Compound CID: 94765

Formula: C₁₅H₁₀O₂ Molecular Weight: 222.24

IUPAC Name: phenanthrene-9-carboxylic acid

SMILES: C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C(=O)O

InChIKey: LMFJKKGDLAICPF-UHFFFAOYSA-N

InChI: InChI=1S/C15H10O2/c16-15(17)14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H,(H,16,17)

Synonyms: 9-Phenanthrenecarboxylic acid | Phenanthrene-9-carboxylic acid | 837-45-6 | 9-phenanthroic acid | NSC 1922 | DTXSID10...
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Effusol
- ≥99%
Cas Number: 73166-28-6 Compound CID: 100801

Formula: C₁₇H₁₆O₂ Molecular Weight: 252.31

IUPAC Name: 5-ethenyl-1-methyl-9,10-dihydrophenanthrene-2,7-diol

SMILES: CC1=C(C=CC2=C1CCC3=C2C(=CC(=C3)O)C=C)O

InChIKey: GEXAPRXWKRZPCK-UHFFFAOYSA-N

InChI: InChI=1S/C17H16O2/c1-3-11-8-13(18)9-12-4-5-14-10(2)16(19)7-6-15(14)17(11)12/h3,6-9,18-19H,1,4-5H2,2H3

Synonyms: NSC 371300 | HY-N5130 | NSC371300 | NSC-371300 | 1-methyl-5-vinyl-9,10-dihydrophenanthrene-2,7-diol | 5-Ethenyl-9,10-...
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Protohypericin
- ≥95%
Cas Number: 548-03-8 EC Number: 686-156-6 Compound CID: 164660

Formula: C₃₀H₁₈O₈ Molecular Weight: 506.46

IUPAC Name: 9,11,13,16,18,20-hexahydroxy-5,24-dimethylheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3,5,8,10,12,14(28),15(27),16,18,20,23,25-trideshow more

SMILES: CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C(=C5C6=CC(=CC(=O)C6=C(C7=C(C=C(C4=C57)O)O)O)C)C2=C1)O)O)O

InChIKey: DPKVSJZTYNGFAW-UHFFFAOYSA-N

InChI: InChI=1S/C30H18O8/c1-9-3-11-19(13(31)5-9)29(37)25-17(35)7-15(33)23-24-16(34)8-18(36)26-28(24)22(21(11)27(23)25)12-4-10(2)6-14(32)20(12)30(26)38/h3-8,3show more

Synonyms: Dibenzo(a,o)perylene-7,16-dione, 1,3,4,6,8,15-hexahydroxy-10,11-dimethyl- | HY-N4139 | 7,11,13,16,18,22-hexahydroxy-5...
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