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

C61H49N8O8+3 — CID 158135201

IUPACmethane;(2E)-1-(1-methylpyridin-1-ium-2-carbonyl)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;(2E)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one
SMILESC.C.C[n+]1ccccc1C(=O)N1/C(=C2\C(=O)c3ccccc3N2C(=O)c2cccc[n+]2C)C(=O)c2ccccc21.C[n+]1ccccc1C(=O)N1/C(=C2\C(=O)c3ccccc3N2C(=O)c2ccccn2)C(=O)c2ccccc21
InChIInChI=1S/C30H22N4O4.C29H19N4O4.2CH4/c1-31-17-9-7-15-23(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;1-31-17-9-7-15-23(31)29(37)33-22-14-5-3-11-19(22)27(35)25(33)24-26(34)18-10-2-4-13-21(18)32(24)28(36)20-12-6-8-16-30-20;;/h3-18H,1-2H3;2-17H,1H3;2*1H4/q+2;+1;;/b26-25+;25-24+;;
InChIKeyCSQRWZUGDFOYJW-BFDJUMDASA-N
MW1022.11 g/mol
LogP7.71
Rot. Bonds4

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

methane;(2E)-1-(1-methylpyridin-1-ium-2-carbonyl)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;(2E)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one (PubChem CID 158135201) has the molecular formula C61H49N8O8+3 and a molecular weight of 1022.11 g/mol. Its IUPAC name is methane;(2E)-1-(1-methylpyridin-1-ium-2-carbonyl)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;(2E)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one.

Molecular Properties

Compound Namemethane;(2E)-1-(1-methylpyridin-1-ium-2-carbonyl)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;(2E)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one
PubChem CID158135201
Molecular FormulaC61H49N8O8+3
Molecular Weight1022.11 g/mol
Exact Mass1021.37
IUPAC Namemethane;(2E)-1-(1-methylpyridin-1-ium-2-carbonyl)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;(2E)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one
SMILESC.C.C[n+]1ccccc1C(=O)N1/C(=C2\C(=O)c3ccccc3N2C(=O)c2cccc[n+]2C)C(=O)c2ccccc21.C[n+]1ccccc1C(=O)N1/C(=C2\C(=O)c3ccccc3N2C(=O)c2ccccn2)C(=O)c2ccccc21
InChIInChI=1S/C30H22N4O4.C29H19N4O4.2CH4/c1-31-17-9-7-15-23(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;1-31-17-9-7-15-23(31)29(37)33-22-14-5-3-11-19(22)27(35)25(33)24-26(34)18-10-2-4-13-21(18)32(24)28(36)20-12-6-8-16-30-20;;/h3-18H,1-2H3;2-17H,1H3;2*1H4/q+2;+1;;/b26-25+;25-24+;;
InChIKeyCSQRWZUGDFOYJW-BFDJUMDASA-N
XLogP7.71
TPSA174.05 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001022.11
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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 methane;(2E)-1-(1-methylpyridin-1-ium-2-carbonyl)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;(2E)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one with MolForge

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Related Compounds

(2S)-1-(1-methylindole-3-carbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(1-methylindole-3-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 58768776
1-[1-[5-[3-(2-Oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]pentyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 54585714
1-[1-[4-[3-(2-Oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]butyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 53248812
1-[1-[6-[3-(2-Oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]hexyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 54580817
1-[1-[4-[3-(2-Oxo-2-piperidin-1-ylacetyl)indol-1-yl]butyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione
CID 54581858
1-[1-[3-[3-(2-Oxo-2-piperidin-1-ylacetyl)indol-1-yl]propyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione
CID 54583797
1-[1-[3-[3-(2-Oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]propyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 54585712
1-[1-[5-[3-(2-Oxo-2-piperidin-1-ylacetyl)indol-1-yl]pentyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione
CID 54585713
1-[1-[6-[3-(2-Oxo-2-piperidin-1-ylacetyl)indol-1-yl]hexyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione
CID 54586692
1-[1-[[4-[[3-(2-Oxo-2-piperidin-1-ylacetyl)indol-1-yl]methyl]phenyl]methyl]indol-3-yl]-2-piperidin-1-ylethane-1,2-dione
CID 54586693
1-[1-[[4-[[3-(2-Oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]methyl]phenyl]methyl]indol-3-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 54586694
(2R)-1-(1-methylindole-3-carbonyl)-N-[4-[(E)-2-[4-[[(2R)-1-(1-methylindole-3-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]vinyl]phenyl]pyrrolidine-2-carboxamide
CID 71598194

Frequently Asked Questions

What is the IUPAC name of methane;(2E)-1-(1-methylpyridin-1-ium-2-carbonyl)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;(2E)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one?
The IUPAC name of methane;(2E)-1-(1-methylpyridin-1-ium-2-carbonyl)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;(2E)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one (CID 158135201) is methane;(2E)-1-(1-methylpyridin-1-ium-2-carbonyl)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;(2E)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one.
What is the SMILES notation for methane;(2E)-1-(1-methylpyridin-1-ium-2-carbonyl)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;(2E)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one?
The canonical SMILES for methane;(2E)-1-(1-methylpyridin-1-ium-2-carbonyl)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;(2E)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one is C.C.C[n+]1ccccc1C(=O)N1/C(=C2\C(=O)c3ccccc3N2C(=O)c2cccc[n+]2C)C(=O)c2ccccc21.C[n+]1ccccc1C(=O)N1/C(=C2\C(=O)c3ccccc3N2C(=O)c2ccccn2)C(=O)c2ccccc21.
What is the InChIKey of methane;(2E)-1-(1-methylpyridin-1-ium-2-carbonyl)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;(2E)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one?
The InChIKey is CSQRWZUGDFOYJW-BFDJUMDASA-N. The full InChI is InChI=1S/C30H22N4O4.C29H19N4O4.2CH4/c1-31-17-9-7-15-23(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;1-31-17-9-7-15-23(31)29(37)33-22-14-5-3-11-19(22)27(35)25(33)24-26(34)18-10-2-4-13-21(18)32(24)28(36)20-12-6-8-16-30-20;;/h3-18H,1-2H3;2-17H,1H3;2*1H4/q+2;+1;;/b26-25+;25-24+;;.
What are the key properties of methane;(2E)-1-(1-methylpyridin-1-ium-2-carbonyl)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;(2E)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one?
methane;(2E)-1-(1-methylpyridin-1-ium-2-carbonyl)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;(2E)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one has a molecular weight of 1022.11 g/mol, XLogP of 7.71, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(2E)-1-(1-methylpyridin-1-ium-2-carbonyl)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]indol-3-one;(2E)-2-[1-(1-methylpyridin-1-ium-2-carbonyl)-3-oxoindol-2-ylidene]-1-(pyridine-2-carbonyl)indol-3-one is sourced from PubChem (CID 158135201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).