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Phenanthrenes and derivatives

Description:

Polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
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  1. Bavachin
      Grade & Purity: 
    • ≥98%
    Cas Number: 19879-32-4
    Formula:  C20H20O4        Molecular Weight: 324.37
    IUPAC Name:  (2S)-7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
    SMILES:  CC(=CCC1=CC2=C(C=C1O)OC(CC2=O)C3=CC=C(C=C3)O)C
    InChIKey: OAUREGNZECGNQS-IBGZPJMESA-N
    InChI:  InChI=1S/C20H20O4/c1-12(2)3-4-14-9-16-18(23)11-19(24-20(16)10-17(14)22)13-5-7-15(21)8-6-13/h3,5-10,19,21-22H,4,11H2,1-2H3/t19-/m0/s1
    Synonyms: AC-34020 | A879959 | MFCD11617359 | Bavachin | 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-6-(3-...
  2. Triphenylene-2,3,6,7,10,11-hexaol hydrate
      Grade & Purity: 
    • ≥95%
    Cas Number: 865836-87-9
    Formula:  C18H14O7        Molecular Weight: 342.30
    SMILES:  C1=C2C3=CC(=C(C=C3C4=CC(=C(C=C4C2=CC(=C1O)O)O)O)O)O.O
    InChIKey: RRFZCJGLIHVKTK-UHFFFAOYSA-N
    InChI:  InChI=1S/C18H12O6.H2O/c19-13-1-7-8(2-14(13)20)10-4-17(23)18(24)6-12(10)11-5-16(22)15(21)3-9(7)11;/h1-6,19-24H;1H2
  3. Triphenylen-2-ol
      Grade & Purity: 
    • ≥95%
    Cas Number: 39748-90-8
    Formula:  C18H12O        Molecular Weight: 244.29
    SMILES:  C1=CC=C2C(=C1)C3=C(C=C(C=C3)O)C4=CC=CC=C24
    InChIKey: ISSUAOIVROKZGI-UHFFFAOYSA-N
    InChI:  InChI=1S/C18H12O/c19-12-9-10-17-15-7-2-1-5-13(15)14-6-3-4-8-16(14)18(17)11-12/h1-11,19H
  4. [5]Helicene
      Grade & Purity: 
    • ≥95%(HPLC)
    Cas Number: 188-52-3
    Formula:  C22H14        Molecular Weight: 278.35
    SMILES:  C1=CC=C2C(=C1)C=CC3=C2C4=C(C=C3)C=CC5=CC=CC=C54
    InChIKey: JKPCLJPYZMKPHM-UHFFFAOYSA-N
    InChI:  InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-13-14-18-12-10-16-6-2-4-8-20(16)22(18)21(17)19/h1-14H
  5. Perylene-3-boronic acid
      Grade & Purity: 
    • ≥98%
    Cas Number: 955121-20-7        Compound CID:  57660767
    Formula:  C20H13BO2        Molecular Weight: 296.1
    IUPAC Name:  perylen-3-ylboronic acid
    SMILES:  B(C1=C2C=CC=C3C2=C(C=C1)C4=CC=CC5=C4C3=CC=C5)(O)O
    InChIKey: CHFSSIZYLDGLQR-UHFFFAOYSA-N
    InChI:  InChI=1S/C20H13BO2/c22-21(23)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/h1-11,22-23H
  6. Methylnaltrexone bromide
      Grade & Purity: 
    • ≥99%
    Cas Number: 73232-52-7        Compound CID:  5361917
    Formula:  C21H26NO4 · Br        Molecular Weight: 436.34
    IUPAC Name:  (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-one;bromide
    SMILES:  C[N+]1(CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O)CC6CC6.[Br-]
    InChIKey: IFGIYSGOEZJNBE-KNLJMPJLSA-N
    InChI:  InChI=1S/C21H25NO4.BrH/c1-22(11-12-2-3-12)9-8-20-17-13-4-5-14(23)18(17)26-19(20)15(24)6-7-21(20,25)16(22)10-13;/h4-5,12,16,19,25H,2-3,6-11H2,1H3;1H/t1show more
  7. Methyl phenanthrene-3-carboxylate
      Grade & Purity: 
    • ≥97%
    Cas Number: 5345-98-2
    Formula:  C16H12O2        Molecular Weight: 236.2653
    SMILES:  COC(=O)C1=CC2=C(C=CC3=CC=CC=C32)C=C1
    InChIKey: PFARRVCKSKRETF-UHFFFAOYSA-N
    InChI:  InChI=1S/C16H12O2/c1-18-16(17)13-9-8-12-7-6-11-4-2-3-5-14(11)15(12)10-13/h2-10H,1H3
  8. Halofantrine hydrochloride
      Grade & Purity: 
    • ≥98%
    Cas Number: 36167-63-2        Compound CID:  37392
    Formula:  C26H31Cl3F3NO        Molecular Weight: 536.88
    IUPAC Name:  3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propan-1-ol;hydrochloride
    SMILES:  CCCCN(CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O.Cl
    InChIKey: WANGFTDWOFGECH-UHFFFAOYSA-N
    InChI:  InChI=1S/C26H30Cl2F3NO.ClH/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23;/h7-8,13-16,25,33H,3-6,show more
  9. Coelonin
      Grade & Purity: 
    • ≥98%
    Cas Number: 82344-82-9
    Formula:  C15H14O3        Molecular Weight: 242.27
    SMILES:  COC1=CC(=CC2=C1C3=C(CC2)C=C(C=C3)O)O
    InChIKey: OPPGAHUCKDKQJR-UHFFFAOYSA-N
    InChI:  InChI=1S/C15H14O3/c1-18-14-8-12(17)7-10-3-2-9-6-11(16)4-5-13(9)15(10)14/h4-8,16-17H,2-3H2,1H3
  10. 2,9-bis[(4-methoxyphenyl)methyl]-Anthra[2,1,9-def:6,5,10-d',e',f'-]diisoquinoline-1,3,8,10(2H,9H)-tetrone
      Grade & Purity: 
    • ≥98%
    Cas Number: 83524-75-8        EC Number: 280-472-4        Compound CID:  15123833
    IUPAC Name:  7,18-bis[(4-methoxyphenyl)methyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,show more
    SMILES:  COC1=CC=C(C=C1)CN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C(=O)N(C8=O)CC9=CC=C(C=C9)OC)C2=O
    InChIKey: LQDAMBYDGRGJGA-UHFFFAOYSA-N
    InChI:  InChI=1S/C40H26N2O6/c1-47-23-7-3-21(4-8-23)19-41-37(43)29-15-11-25-27-13-17-31-36-32(40(46)42(39(31)45)20-22-5-9-24(48-2)10-6-22)18-14-28(34(27)36)26-show more
  11. 2,7-Diaminophenanthrene-9,10-dione
      Grade & Purity: 
    • ≥95%
    Cas Number: 49546-41-0        Compound CID:  1980698
    Formula:  C14H10N2O2        Molecular Weight: 238.24
    IUPAC Name:  2,7-diaminophenanthrene-9,10-dione
    SMILES:  C1=CC2=C(C=C1N)C(=O)C(=O)C3=C2C=CC(=C3)N
    InChIKey: FIPYLFQPDJPOKA-UHFFFAOYSA-N
    InChI:  InChI=1S/C14H10N2O2/c15-7-1-3-9-10-4-2-8(16)6-12(10)14(18)13(17)11(9)5-7/h1-6H,15-16H2
  12. N,N'-DI(PYRID-4-YL)-PERYLENTETRACARBONIC ACID, DIAMIDE
      Grade & Purity: 
    • ≥98%
    Cas Number: 136847-29-5        Compound CID:  56845802
    Formula:  C34H16N4O4        Molecular Weight: 544.5
    IUPAC Name:  7,18-dipyridin-4-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
    SMILES:  C1=CC2=C3C(=CC=C4C3=C1C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)C8=CC=NC=C8)C(=O)N(C2=O)C9=CC=NC=C9
    InChIKey: FNHCNEJUZBOMQQ-UHFFFAOYSA-N
    InChI:  InChI=1S/C34H16N4O4/c39-31-23-5-1-19-20-2-6-25-30-26(34(42)38(33(25)41)18-11-15-36-16-12-18)8-4-22(28(20)30)21-3-7-24(29(23)27(19)21)32(40)37(31)17-9-show more
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