(3E)-6-chloro-3-[(3Z)-3-phenylmethoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;(3E)-5,6-dichloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;(3E)-5,6-dichloro-3-[(3Z)-3-propoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;5-methoxy-3-(3-nitroso-1H-inden-2-yl)-1H-indol-2-ol

C80H59Cl5N8O9 — CID 172967082

IUPAC(3E)-6-chloro-3-[(3Z)-3-phenylmethoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;(3E)-5,6-dichloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;(3E)-5,6-dichloro-3-[(3Z)-3-propoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;5-methoxy-3-(3-nitroso-1H-inden-2-yl)-1H-indol-2-ol
SMILESCCCO/N=C1C(=C2/C(=O)Nc3cc(Cl)c(Cl)cc32)/Cc2ccccc2/1.CO/N=C1C(=C2/C(=O)Nc3cc(Cl)c(Cl)cc32)/Cc2ccccc2/1.COc1ccc2[nH]c(O)c(C3=C(N=O)c4ccccc4C3)c2c1.O=C1Nc2cc(Cl)ccc2/C1=C1/Cc2ccccc2/C1=N\OCc1ccccc1
InChIInChI=1S/C24H17ClN2O2.C20H16Cl2N2O2.C18H12Cl2N2O2.C18H14N2O3/c25-17-10-11-19-21(13-17)26-24(28)22(19)20-12-16-8-4-5-9-18(16)23(20)27-29-14-15-6-2-1-3-7-15;1-2-7-26-24-19-12-6-4-3-5-11(12)8-14(19)18-13-9-15(21)16(22)10-17(13)23-20(18)25;1-24-22-17-10-5-3-2-4-9(10)6-12(17)16-11-7-13(19)14(20)8-15(11)21-18(16)23;1-23-11-6-7-15-13(9-11)16(18(21)19-15)14-8-10-4-2-3-5-12(10)17(14)20-22/h1-11,13H,12,14H2,(H,26,28);3-6,9-10H,2,7-8H2,1H3,(H,23,25);2-5,7-8H,6H2,1H3,(H,21,23);2-7,9,19,21H,8H2,1H3/b22-20+,27-23+;18-14+,24-19+;16-12+,22-17+;
InChIKeyKAQFZDWQWCQXMO-BJFNIGKYSA-N
MW1453.66 g/mol
LogP18.69
Rot. Bonds10

About (3E)-6-chloro-3-[(3Z)-3-phenylmethoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;(3E)-5,6-dichloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;(3E)-5,6-dichloro-3-[(3Z)-3-propoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;5-methoxy-3-(3-nitroso-1H-inden-2-yl)-1H-indol-2-ol

(3E)-6-chloro-3-[(3Z)-3-phenylmethoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;(3E)-5,6-dichloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;(3E)-5,6-dichloro-3-[(3Z)-3-propoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;5-methoxy-3-(3-nitroso-1H-inden-2-yl)-1H-indol-2-ol (PubChem CID 172967082) has the molecular formula C80H59Cl5N8O9 and a molecular weight of 1453.66 g/mol. Its IUPAC name is (3E)-6-chloro-3-[(3Z)-3-phenylmethoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;(3E)-5,6-dichloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;(3E)-5,6-dichloro-3-[(3Z)-3-propoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;5-methoxy-3-(3-nitroso-1H-inden-2-yl)-1H-indol-2-ol.

Molecular Properties

Compound Name(3E)-6-chloro-3-[(3Z)-3-phenylmethoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;(3E)-5,6-dichloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;(3E)-5,6-dichloro-3-[(3Z)-3-propoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;5-methoxy-3-(3-nitroso-1H-inden-2-yl)-1H-indol-2-ol
PubChem CID172967082
Molecular FormulaC80H59Cl5N8O9
Molecular Weight1453.66 g/mol
Exact Mass1450.28
IUPAC Name(3E)-6-chloro-3-[(3Z)-3-phenylmethoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;(3E)-5,6-dichloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;(3E)-5,6-dichloro-3-[(3Z)-3-propoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;5-methoxy-3-(3-nitroso-1H-inden-2-yl)-1H-indol-2-ol
SMILESCCCO/N=C1C(=C2/C(=O)Nc3cc(Cl)c(Cl)cc32)/Cc2ccccc2/1.CO/N=C1C(=C2/C(=O)Nc3cc(Cl)c(Cl)cc32)/Cc2ccccc2/1.COc1ccc2[nH]c(O)c(C3=C(N=O)c4ccccc4C3)c2c1.O=C1Nc2cc(Cl)ccc2/C1=C1/Cc2ccccc2/C1=N\OCc1ccccc1
InChIInChI=1S/C24H17ClN2O2.C20H16Cl2N2O2.C18H12Cl2N2O2.C18H14N2O3/c25-17-10-11-19-21(13-17)26-24(28)22(19)20-12-16-8-4-5-9-18(16)23(20)27-29-14-15-6-2-1-3-7-15;1-2-7-26-24-19-12-6-4-3-5-11(12)8-14(19)18-13-9-15(21)16(22)10-17(13)23-20(18)25;1-24-22-17-10-5-3-2-4-9(10)6-12(17)16-11-7-13(19)14(20)8-15(11)21-18(16)23;1-23-11-6-7-15-13(9-11)16(18(21)19-15)14-8-10-4-2-3-5-12(10)17(14)20-22/h1-11,13H,12,14H2,(H,26,28);3-6,9-10H,2,7-8H2,1H3,(H,23,25);2-5,7-8H,6H2,1H3,(H,21,23);2-7,9,19,21H,8H2,1H3/b22-20+,27-23+;18-14+,24-19+;16-12+,22-17+;
InChIKeyKAQFZDWQWCQXMO-BJFNIGKYSA-N
XLogP18.69
TPSA226.75 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001453.66
LogP ≤ 518.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3E)-6-chloro-3-[(3Z)-3-phenylmethoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;(3E)-5,6-dichloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;(3E)-5,6-dichloro-3-[(3Z)-3-propoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;5-methoxy-3-(3-nitroso-1H-inden-2-yl)-1H-indol-2-ol with MolForge

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Related Compounds

(3E)-6-chloro-3-[(3Z)-3-phenylmethoxyimino-1H-inden-2-ylidene]-1H-indol-2-one
CID 172930005
(3E)-5-chloro-3-[(3Z)-3-ethoxyimino-1H-inden-2-ylidene]-6-methyl-1H-indol-2-one;5-chloro-6-methyl-3-(3-nitroso-1H-inden-2-yl)-1H-indol-2-ol;(3E)-5-chloro-6-methyl-3-(3-oxo-1H-inden-2-ylidene)-1H-indol-2-one;5-chloro-3-(3-nitroso-1H-inden-2-yl)-1H-indol-2-ol;methane;(3E)-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-6-methyl-1H-indol-2-one;6-methyl-5-nitro-3-(3-nitroso-1H-inden-2-yl)-1H-indol-2-ol
CID 172917523
5-chloro-3-(3-nitroso-1H-inden-2-yl)-1H-indol-2-ol
CID 158774254
(3E)-5-chloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one
CID 172934341
(1R,4R)-1-tert-butyl-5-[2-[(E)-[2-(5-chloro-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid
CID 170551255
6-methoxy-3-(3-phenylmethoxypropyl)-1H-quinazoline-2,4-dione
CID 118869707
(5-chloro-2-fluorophenyl)-[(1S)-6-methoxy-1-(4-phenylmethoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone
CID 98399489
3-(6-chloro-1H-indol-3-yl)-4-(5-methoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 22308775
ethyl 2-(2-chlorophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 22480990
2-(2-hydroxy-5-methoxy-1H-indol-3-yl)pyrrolo[2,3-b]pyridin-3-one
CID 135927736
5-chloro-3-[2-(4-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol
CID 136996187
5-chloro-3-[(4-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135481823

Frequently Asked Questions

What is the IUPAC name of (3E)-6-chloro-3-[(3Z)-3-phenylmethoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;(3E)-5,6-dichloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;(3E)-5,6-dichloro-3-[(3Z)-3-propoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;5-methoxy-3-(3-nitroso-1H-inden-2-yl)-1H-indol-2-ol?
The IUPAC name of (3E)-6-chloro-3-[(3Z)-3-phenylmethoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;(3E)-5,6-dichloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;(3E)-5,6-dichloro-3-[(3Z)-3-propoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;5-methoxy-3-(3-nitroso-1H-inden-2-yl)-1H-indol-2-ol (CID 172967082) is (3E)-6-chloro-3-[(3Z)-3-phenylmethoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;(3E)-5,6-dichloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;(3E)-5,6-dichloro-3-[(3Z)-3-propoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;5-methoxy-3-(3-nitroso-1H-inden-2-yl)-1H-indol-2-ol.
What is the SMILES notation for (3E)-6-chloro-3-[(3Z)-3-phenylmethoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;(3E)-5,6-dichloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;(3E)-5,6-dichloro-3-[(3Z)-3-propoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;5-methoxy-3-(3-nitroso-1H-inden-2-yl)-1H-indol-2-ol?
The canonical SMILES for (3E)-6-chloro-3-[(3Z)-3-phenylmethoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;(3E)-5,6-dichloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;(3E)-5,6-dichloro-3-[(3Z)-3-propoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;5-methoxy-3-(3-nitroso-1H-inden-2-yl)-1H-indol-2-ol is CCCO/N=C1C(=C2/C(=O)Nc3cc(Cl)c(Cl)cc32)/Cc2ccccc2/1.CO/N=C1C(=C2/C(=O)Nc3cc(Cl)c(Cl)cc32)/Cc2ccccc2/1.COc1ccc2[nH]c(O)c(C3=C(N=O)c4ccccc4C3)c2c1.O=C1Nc2cc(Cl)ccc2/C1=C1/Cc2ccccc2/C1=N\OCc1ccccc1.
What is the InChIKey of (3E)-6-chloro-3-[(3Z)-3-phenylmethoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;(3E)-5,6-dichloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;(3E)-5,6-dichloro-3-[(3Z)-3-propoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;5-methoxy-3-(3-nitroso-1H-inden-2-yl)-1H-indol-2-ol?
The InChIKey is KAQFZDWQWCQXMO-BJFNIGKYSA-N. The full InChI is InChI=1S/C24H17ClN2O2.C20H16Cl2N2O2.C18H12Cl2N2O2.C18H14N2O3/c25-17-10-11-19-21(13-17)26-24(28)22(19)20-12-16-8-4-5-9-18(16)23(20)27-29-14-15-6-2-1-3-7-15;1-2-7-26-24-19-12-6-4-3-5-11(12)8-14(19)18-13-9-15(21)16(22)10-17(13)23-20(18)25;1-24-22-17-10-5-3-2-4-9(10)6-12(17)16-11-7-13(19)14(20)8-15(11)21-18(16)23;1-23-11-6-7-15-13(9-11)16(18(21)19-15)14-8-10-4-2-3-5-12(10)17(14)20-22/h1-11,13H,12,14H2,(H,26,28);3-6,9-10H,2,7-8H2,1H3,(H,23,25);2-5,7-8H,6H2,1H3,(H,21,23);2-7,9,19,21H,8H2,1H3/b22-20+,27-23+;18-14+,24-19+;16-12+,22-17+;.
What are the key properties of (3E)-6-chloro-3-[(3Z)-3-phenylmethoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;(3E)-5,6-dichloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;(3E)-5,6-dichloro-3-[(3Z)-3-propoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;5-methoxy-3-(3-nitroso-1H-inden-2-yl)-1H-indol-2-ol?
(3E)-6-chloro-3-[(3Z)-3-phenylmethoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;(3E)-5,6-dichloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;(3E)-5,6-dichloro-3-[(3Z)-3-propoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;5-methoxy-3-(3-nitroso-1H-inden-2-yl)-1H-indol-2-ol has a molecular weight of 1453.66 g/mol, XLogP of 18.69, 10 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-chloro-3-[(3Z)-3-phenylmethoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;(3E)-5,6-dichloro-3-[(3Z)-3-methoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;(3E)-5,6-dichloro-3-[(3Z)-3-propoxyimino-1H-inden-2-ylidene]-1H-indol-2-one;5-methoxy-3-(3-nitroso-1H-inden-2-yl)-1H-indol-2-ol is sourced from PubChem (CID 172967082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).