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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.
Ancestors:
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BavachinCas Number: 19879-32-4Formula: C20H20O4 Molecular Weight: 324.37IUPAC Name: (2S)-7-hydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-oneSMILES: CC(=CCC1=CC2=C(C=C1O)OC(CC2=O)C3=CC=C(C=C3)O)CInChIKey: OAUREGNZECGNQS-IBGZPJMESA-NInChI: 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/s1Synonyms: AC-34020 | A879959 | MFCD11617359 | Bavachin | 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-6-(3-...
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Triphenylene-2,3,6,7,10,11-hexaol hydrateCas Number: 865836-87-9Formula: C18H14O7 Molecular Weight: 342.30SMILES: C1=C2C3=CC(=C(C=C3C4=CC(=C(C=C4C2=CC(=C1O)O)O)O)O)O.OInChIKey: RRFZCJGLIHVKTK-UHFFFAOYSA-NInChI: 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
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Triphenylen-2-olCas Number: 39748-90-8Formula: C18H12O Molecular Weight: 244.29SMILES: C1=CC=C2C(=C1)C3=C(C=C(C=C3)O)C4=CC=CC=C24InChIKey: ISSUAOIVROKZGI-UHFFFAOYSA-NInChI: 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
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[5]HeliceneCas Number: 188-52-3Formula: C22H14 Molecular Weight: 278.35SMILES: C1=CC=C2C(=C1)C=CC3=C2C4=C(C=C3)C=CC5=CC=CC=C54InChIKey: JKPCLJPYZMKPHM-UHFFFAOYSA-NInChI: 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
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Perylene-3-boronic acidCas Number: 955121-20-7 Compound CID: 57660767Formula: C20H13BO2 Molecular Weight: 296.1IUPAC Name: perylen-3-ylboronic acidSMILES: B(C1=C2C=CC=C3C2=C(C=C1)C4=CC=CC5=C4C3=CC=C5)(O)OInChIKey: CHFSSIZYLDGLQR-UHFFFAOYSA-NInChI: 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
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Methylnaltrexone bromideCas Number: 73232-52-7 Compound CID: 5361917Formula: C21H26NO4 · Br Molecular Weight: 436.34IUPAC 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;bromideSMILES: C[N+]1(CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O)CC6CC6.[Br-]InChIKey: IFGIYSGOEZJNBE-KNLJMPJLSA-NInChI: show more
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Methyl phenanthrene-3-carboxylateCas Number: 5345-98-2Formula: C16H12O2 Molecular Weight: 236.2653SMILES: COC(=O)C1=CC2=C(C=CC3=CC=CC=C32)C=C1InChIKey: PFARRVCKSKRETF-UHFFFAOYSA-NInChI: 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
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Halofantrine hydrochlorideCas Number: 36167-63-2 Compound CID: 37392Formula: C26H31Cl3F3NO Molecular Weight: 536.88IUPAC Name: 3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propan-1-ol;hydrochlorideSMILES: CCCCN(CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O.ClInChIKey: WANGFTDWOFGECH-UHFFFAOYSA-NInChI: show more
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CoeloninCas Number: 82344-82-9Formula: C15H14O3 Molecular Weight: 242.27SMILES: COC1=CC(=CC2=C1C3=C(CC2)C=C(C=C3)O)OInChIKey: OPPGAHUCKDKQJR-UHFFFAOYSA-NInChI: 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
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2,9-bis[(4-methoxyphenyl)methyl]-Anthra[2,1,9-def:6,5,10-d',e',f'-]diisoquinoline-1,3,8,10(2H,9H)-tetroneIUPAC Name: show moreSMILES: 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=OInChIKey: LQDAMBYDGRGJGA-UHFFFAOYSA-NInChI: show more
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2,7-Diaminophenanthrene-9,10-dioneCas Number: 49546-41-0 Compound CID: 1980698Formula: C14H10N2O2 Molecular Weight: 238.24IUPAC Name: 2,7-diaminophenanthrene-9,10-dioneSMILES: C1=CC2=C(C=C1N)C(=O)C(=O)C3=C2C=CC(=C3)NInChIKey: FIPYLFQPDJPOKA-UHFFFAOYSA-NInChI: 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
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N,N'-DI(PYRID-4-YL)-PERYLENTETRACARBONIC ACID, DIAMIDECas Number: 136847-29-5 Compound CID: 56845802Formula: C34H16N4O4 Molecular Weight: 544.5IUPAC 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-tetroneSMILES: 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=C9InChIKey: FNHCNEJUZBOMQQ-UHFFFAOYSA-NInChI: show more
