(2E)-1-(1-ethylpyridin-1-ium-3-carbonyl)-2-[1-(1-ethylpyridin-1-ium-3-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;(2E)-1-(1-methylpyridin-1-ium-2-carbonyl)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;bis((2E)-1-(1-methylpyridin-1-ium-3-carbonyl)-2-[1-(1-methylpyridin-1-ium-3-carbonyl)-3-oxoindol-2-ylidene]indol-3-one)

C122H92N16O16+8 — CID 157190372

IUPAC(2E)-1-(1-ethylpyridin-1-ium-3-carbonyl)-2-[1-(1-ethylpyridin-1-ium-3-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;(2E)-1-(1-methylpyridin-1-ium-2-carbonyl)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;bis((2E)-1-(1-methylpyridin-1-ium-3-carbonyl)-2-[1-(1-methylpyridin-1-ium-3-carbonyl)-3-oxoindol-2-ylidene]indol-3-one)
SMILESCC[n+]1cccc(C(=O)N2/C(=C3\C(=O)c4ccccc4N3C(=O)c3ccc[n+](CC)c3)C(=O)c3ccccc32)c1.C[n+]1cccc(C(=O)N2/C(=C3\C(=O)c4ccccc4N3C(=O)c3ccc[n+](C)c3)C(=O)c3ccccc32)c1.C[n+]1cccc(C(=O)N2/C(=C3\C(=O)c4ccccc4N3C(=O)c3ccc[n+](C)c3)C(=O)c3ccccc32)c1.C[n+]1ccccc1C(=O)N1/C(=C2\C(=O)c3ccccc3N2C(=O)c2cccc[n+]2C)C(=O)c2ccccc21
InChIInChI=1S/C32H26N4O4.3C30H22N4O4/c1-3-33-17-9-11-21(19-33)31(39)35-25-15-7-5-13-23(25)29(37)27(35)28-30(38)24-14-6-8-16-26(24)36(28)32(40)22-12-10-18-34(4-2)20-22;2*1-31-15-7-9-19(17-31)29(37)33-23-13-5-3-11-21(23)27(35)25(33)26-28(36)22-12-4-6-14-24(22)34(26)30(38)20-10-8-16-32(2)18-20;1-31-17-9-7-15-23(31)29(37)33-21-13-5-3-11-19(21)27(35)25(33)26-28(36)20-12-4-6-14-22(20)34(26)30(38)24-16-8-10-18-32(24)2/h5-20H,3-4H2,1-2H3;3*3-18H,1-2H3/q4*+2/b28-27+;3*26-25+
InChIKeyAUJISQIFFAGJJZ-JSDZPONOSA-N
MW2038.17 g/mol
LogP12.70
Rot. Bonds10

About (2E)-1-(1-ethylpyridin-1-ium-3-carbonyl)-2-[1-(1-ethylpyridin-1-ium-3-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;(2E)-1-(1-methylpyridin-1-ium-2-carbonyl)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;bis((2E)-1-(1-methylpyridin-1-ium-3-carbonyl)-2-[1-(1-methylpyridin-1-ium-3-carbonyl)-3-oxoindol-2-ylidene]indol-3-one)

(2E)-1-(1-ethylpyridin-1-ium-3-carbonyl)-2-[1-(1-ethylpyridin-1-ium-3-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;(2E)-1-(1-methylpyridin-1-ium-2-carbonyl)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;bis((2E)-1-(1-methylpyridin-1-ium-3-carbonyl)-2-[1-(1-methylpyridin-1-ium-3-carbonyl)-3-oxoindol-2-ylidene]indol-3-one) (PubChem CID 157190372) has the molecular formula C122H92N16O16+8 and a molecular weight of 2038.17 g/mol. Its IUPAC name is (2E)-1-(1-ethylpyridin-1-ium-3-carbonyl)-2-[1-(1-ethylpyridin-1-ium-3-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;(2E)-1-(1-methylpyridin-1-ium-2-carbonyl)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;bis((2E)-1-(1-methylpyridin-1-ium-3-carbonyl)-2-[1-(1-methylpyridin-1-ium-3-carbonyl)-3-oxoindol-2-ylidene]indol-3-one).

Molecular Properties

Compound Name(2E)-1-(1-ethylpyridin-1-ium-3-carbonyl)-2-[1-(1-ethylpyridin-1-ium-3-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;(2E)-1-(1-methylpyridin-1-ium-2-carbonyl)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;bis((2E)-1-(1-methylpyridin-1-ium-3-carbonyl)-2-[1-(1-methylpyridin-1-ium-3-carbonyl)-3-oxoindol-2-ylidene]indol-3-one)
PubChem CID157190372
Molecular FormulaC122H92N16O16+8
Molecular Weight2038.17 g/mol
Exact Mass2036.68
IUPAC Name(2E)-1-(1-ethylpyridin-1-ium-3-carbonyl)-2-[1-(1-ethylpyridin-1-ium-3-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;(2E)-1-(1-methylpyridin-1-ium-2-carbonyl)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;bis((2E)-1-(1-methylpyridin-1-ium-3-carbonyl)-2-[1-(1-methylpyridin-1-ium-3-carbonyl)-3-oxoindol-2-ylidene]indol-3-one)
SMILESCC[n+]1cccc(C(=O)N2/C(=C3\C(=O)c4ccccc4N3C(=O)c3ccc[n+](CC)c3)C(=O)c3ccccc32)c1.C[n+]1cccc(C(=O)N2/C(=C3\C(=O)c4ccccc4N3C(=O)c3ccc[n+](C)c3)C(=O)c3ccccc32)c1.C[n+]1cccc(C(=O)N2/C(=C3\C(=O)c4ccccc4N3C(=O)c3ccc[n+](C)c3)C(=O)c3ccccc32)c1.C[n+]1ccccc1C(=O)N1/C(=C2\C(=O)c3ccccc3N2C(=O)c2cccc[n+]2C)C(=O)c2ccccc21
InChIInChI=1S/C32H26N4O4.3C30H22N4O4/c1-3-33-17-9-11-21(19-33)31(39)35-25-15-7-5-13-23(25)29(37)27(35)28-30(38)24-14-6-8-16-26(24)36(28)32(40)22-12-10-18-34(4-2)20-22;2*1-31-15-7-9-19(17-31)29(37)33-23-13-5-3-11-21(23)27(35)25(33)26-28(36)22-12-4-6-14-24(22)34(26)30(38)20-10-8-16-32(2)18-20;1-31-17-9-7-15-23(31)29(37)33-21-13-5-3-11-19(21)27(35)25(33)26-28(36)20-12-4-6-14-22(20)34(26)30(38)24-16-8-10-18-32(24)2/h5-20H,3-4H2,1-2H3;3*3-18H,1-2H3/q4*+2/b28-27+;3*26-25+
InChIKeyAUJISQIFFAGJJZ-JSDZPONOSA-N
XLogP12.70
TPSA330.08 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002038.17
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_E(44)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (2E)-1-(1-ethylpyridin-1-ium-3-carbonyl)-2-[1-(1-ethylpyridin-1-ium-3-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;(2E)-1-(1-methylpyridin-1-ium-2-carbonyl)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;bis((2E)-1-(1-methylpyridin-1-ium-3-carbonyl)-2-[1-(1-methylpyridin-1-ium-3-carbonyl)-3-oxoindol-2-ylidene]indol-3-one) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one
CID 87614502
5-[2-[(1S)-1-[2-(3-acetylindol-1-yl)butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-(3-acetylindol-1-yl)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-1-[[2-[2,4-bis(trifluoromethyl)pyrrol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157268135
5-[2-[(1S)-1-[[(2S)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157579703
8-[1-[3,5-difluoro-4-(trifluoromethyl)phenyl]-4-methyl-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[4-methyl-5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]piperidin-4-yl]-3H-pyrrolo[3,2-b]pyridin-2-one;1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-pyrrolo[3,2-b]pyridin-2-one;8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1-(2,4,6-trifluorophenyl)-1,8-diazaspiro[4.5]decan-4-one
CID 157701145
(7S)-N-[3-amino-2-(methyliminomethyl)prop-2-enyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-(2-piperidin-1-ylethyl)-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(4-propanoylcyclohexyl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-7-propan-2-yl-N-(pyridin-2-ylmethyl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 158855925
8-[5-(2,6-Dimethyl-3-pyridinyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(6-methyl-3-pyridinyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-2-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one
CID 159114917
2-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-[5-(trifluoromethyl)-2H-pyrrol-4-yl]phenyl]methyl]-3H-isoindol-1-one;2-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3H-isoindol-1-one
CID 159554024
6,7-difluoro-1-[1-[5-pyridin-2-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;6,7-difluoro-1-[1-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1-(4-fluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;5,6,7-trifluoro-1-[1-[5-pyridin-4-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one
CID 159701027
1-(3,4-Difluorophenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(3,4-difluorophenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;8-[1-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-2,6-dimethylphenyl)-8-[1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluorophenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one
CID 161095208
8-[1-[3,5-Difluoro-4-(trifluoromethyl)phenyl]-4-methyl-5-pyridin-3-ylpyrazole-3-carbonyl]-1-(4-fluorophenyl)-1,8-diazaspiro[4.5]decan-4-one;1-(4-fluoro-2-methylphenyl)-8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decane-2,4-dione;1-(4-fluorophenyl)-8-[4-methyl-5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;8-[5-pyridin-3-yl-1-(3,4,5-trifluorophenyl)pyrazole-3-carbonyl]-1-(2,4,6-trifluorophenyl)-1,8-diazaspiro[4.5]decane-2,4-dione
CID 162053158
1-phenyl-8-[5-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-phenyl-8-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-1,8-diazaspiro[4.5]decan-4-one;1-[1-[5-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one;1-[1-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one
CID 162189969
(2E)-2-(3-oxoindol-1-id-2-ylidene)indol-1-id-3-one;tetrakis(2-pyridin-2-ylpyridine);ruthenium(2+);ruthenium(3+);triperchlorate
CID 139170511

Frequently Asked Questions

What is the IUPAC name of (2E)-1-(1-ethylpyridin-1-ium-3-carbonyl)-2-[1-(1-ethylpyridin-1-ium-3-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;(2E)-1-(1-methylpyridin-1-ium-2-carbonyl)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;bis((2E)-1-(1-methylpyridin-1-ium-3-carbonyl)-2-[1-(1-methylpyridin-1-ium-3-carbonyl)-3-oxoindol-2-ylidene]indol-3-one)?
The IUPAC name of (2E)-1-(1-ethylpyridin-1-ium-3-carbonyl)-2-[1-(1-ethylpyridin-1-ium-3-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;(2E)-1-(1-methylpyridin-1-ium-2-carbonyl)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;bis((2E)-1-(1-methylpyridin-1-ium-3-carbonyl)-2-[1-(1-methylpyridin-1-ium-3-carbonyl)-3-oxoindol-2-ylidene]indol-3-one) (CID 157190372) is (2E)-1-(1-ethylpyridin-1-ium-3-carbonyl)-2-[1-(1-ethylpyridin-1-ium-3-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;(2E)-1-(1-methylpyridin-1-ium-2-carbonyl)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;bis((2E)-1-(1-methylpyridin-1-ium-3-carbonyl)-2-[1-(1-methylpyridin-1-ium-3-carbonyl)-3-oxoindol-2-ylidene]indol-3-one).
What is the SMILES notation for (2E)-1-(1-ethylpyridin-1-ium-3-carbonyl)-2-[1-(1-ethylpyridin-1-ium-3-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;(2E)-1-(1-methylpyridin-1-ium-2-carbonyl)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;bis((2E)-1-(1-methylpyridin-1-ium-3-carbonyl)-2-[1-(1-methylpyridin-1-ium-3-carbonyl)-3-oxoindol-2-ylidene]indol-3-one)?
The canonical SMILES for (2E)-1-(1-ethylpyridin-1-ium-3-carbonyl)-2-[1-(1-ethylpyridin-1-ium-3-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;(2E)-1-(1-methylpyridin-1-ium-2-carbonyl)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;bis((2E)-1-(1-methylpyridin-1-ium-3-carbonyl)-2-[1-(1-methylpyridin-1-ium-3-carbonyl)-3-oxoindol-2-ylidene]indol-3-one) is CC[n+]1cccc(C(=O)N2/C(=C3\C(=O)c4ccccc4N3C(=O)c3ccc[n+](CC)c3)C(=O)c3ccccc32)c1.C[n+]1cccc(C(=O)N2/C(=C3\C(=O)c4ccccc4N3C(=O)c3ccc[n+](C)c3)C(=O)c3ccccc32)c1.C[n+]1cccc(C(=O)N2/C(=C3\C(=O)c4ccccc4N3C(=O)c3ccc[n+](C)c3)C(=O)c3ccccc32)c1.C[n+]1ccccc1C(=O)N1/C(=C2\C(=O)c3ccccc3N2C(=O)c2cccc[n+]2C)C(=O)c2ccccc21.
What is the InChIKey of (2E)-1-(1-ethylpyridin-1-ium-3-carbonyl)-2-[1-(1-ethylpyridin-1-ium-3-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;(2E)-1-(1-methylpyridin-1-ium-2-carbonyl)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;bis((2E)-1-(1-methylpyridin-1-ium-3-carbonyl)-2-[1-(1-methylpyridin-1-ium-3-carbonyl)-3-oxoindol-2-ylidene]indol-3-one)?
The InChIKey is AUJISQIFFAGJJZ-JSDZPONOSA-N. The full InChI is InChI=1S/C32H26N4O4.3C30H22N4O4/c1-3-33-17-9-11-21(19-33)31(39)35-25-15-7-5-13-23(25)29(37)27(35)28-30(38)24-14-6-8-16-26(24)36(28)32(40)22-12-10-18-34(4-2)20-22;2*1-31-15-7-9-19(17-31)29(37)33-23-13-5-3-11-21(23)27(35)25(33)26-28(36)22-12-4-6-14-24(22)34(26)30(38)20-10-8-16-32(2)18-20;1-31-17-9-7-15-23(31)29(37)33-21-13-5-3-11-19(21)27(35)25(33)26-28(36)20-12-4-6-14-22(20)34(26)30(38)24-16-8-10-18-32(24)2/h5-20H,3-4H2,1-2H3;3*3-18H,1-2H3/q4*+2/b28-27+;3*26-25+.
What are the key properties of (2E)-1-(1-ethylpyridin-1-ium-3-carbonyl)-2-[1-(1-ethylpyridin-1-ium-3-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;(2E)-1-(1-methylpyridin-1-ium-2-carbonyl)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;bis((2E)-1-(1-methylpyridin-1-ium-3-carbonyl)-2-[1-(1-methylpyridin-1-ium-3-carbonyl)-3-oxoindol-2-ylidene]indol-3-one)?
(2E)-1-(1-ethylpyridin-1-ium-3-carbonyl)-2-[1-(1-ethylpyridin-1-ium-3-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;(2E)-1-(1-methylpyridin-1-ium-2-carbonyl)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;bis((2E)-1-(1-methylpyridin-1-ium-3-carbonyl)-2-[1-(1-methylpyridin-1-ium-3-carbonyl)-3-oxoindol-2-ylidene]indol-3-one) has a molecular weight of 2038.17 g/mol, XLogP of 12.70, 10 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-(1-ethylpyridin-1-ium-3-carbonyl)-2-[1-(1-ethylpyridin-1-ium-3-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;(2E)-1-(1-methylpyridin-1-ium-2-carbonyl)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;bis((2E)-1-(1-methylpyridin-1-ium-3-carbonyl)-2-[1-(1-methylpyridin-1-ium-3-carbonyl)-3-oxoindol-2-ylidene]indol-3-one) is sourced from PubChem (CID 157190372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).