N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide

C30H22N4O — CID 6902143

IUPACN-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide
SMILESO=C(N/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C30H22N4O/c35-30(26-19-31-27-17-9-7-15-23(26)27)33-32-20-25-24-16-8-10-18-28(24)34(22-13-5-2-6-14-22)29(25)21-11-3-1-4-12-21/h1-20,31H,(H,33,35)/b32-20+
InChIKeySBVVBFYTOFGWQG-UZWMFBFFSA-N
MW454.53 g/mol
LogP6.54
Rot. Bonds5

About N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide

N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide (PubChem CID 6902143) has the molecular formula C30H22N4O and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide
PubChem CID6902143
Molecular FormulaC30H22N4O
Molecular Weight454.53 g/mol
Exact Mass454.18
IUPAC NameN-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide
SMILESO=C(N/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C30H22N4O/c35-30(26-19-31-27-17-9-7-15-23(26)27)33-32-20-25-24-16-8-10-18-28(24)34(22-13-5-2-6-14-22)29(25)21-11-3-1-4-12-21/h1-20,31H,(H,33,35)/b32-20+
InChIKeySBVVBFYTOFGWQG-UZWMFBFFSA-N
XLogP6.54
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1,2-diphenylindol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 2308479
N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 146021708
N-[(1,2-diphenylindol-3-yl)methylideneamino]benzenesulfonamide
CID 3485439
N-[(Z)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide
CID 8901554
N-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 6250185
N-[(E)-(1-methylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide
CID 6878706
N-[(Z)-(4-methylphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5410905
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 136661289
N-[(2-iodophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 2165485
methyl 3-[(Z)-(1H-indole-3-carbonylhydrazinylidene)methyl]indole-1-carboxylate
CID 11588540
2-(4-tert-butylphenoxy)-N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]acetamide
CID 6901775
3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]benzamide
CID 6902807

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide (CID 6902143) is N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide is O=C(N/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide?
The InChIKey is SBVVBFYTOFGWQG-UZWMFBFFSA-N. The full InChI is InChI=1S/C30H22N4O/c35-30(26-19-31-27-17-9-7-15-23(26)27)33-32-20-25-24-16-8-10-18-28(24)34(22-13-5-2-6-14-22)29(25)21-11-3-1-4-12-21/h1-20,31H,(H,33,35)/b32-20+.
What are the key properties of N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide?
N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 6.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide is sourced from PubChem (CID 6902143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).