2-amino-3-formyl-4,6-diphenylbenzonitrile

C20H14N2O — CID 101458211

IUPAC2-amino-3-formyl-4,6-diphenylbenzonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccccc2)c(C=O)c1N
InChIInChI=1S/C20H14N2O/c21-12-18-16(14-7-3-1-4-8-14)11-17(19(13-23)20(18)22)15-9-5-2-6-10-15/h1-11,13H,22H2
InChIKeyISTUWEDIQLYKQH-UHFFFAOYSA-N
MW298.35 g/mol
LogP4.29
Rot. Bonds3

About 2-amino-3-formyl-4,6-diphenylbenzonitrile

2-amino-3-formyl-4,6-diphenylbenzonitrile (PubChem CID 101458211) has the molecular formula C20H14N2O and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-amino-3-formyl-4,6-diphenylbenzonitrile.

Molecular Properties

Compound Name2-amino-3-formyl-4,6-diphenylbenzonitrile
PubChem CID101458211
Molecular FormulaC20H14N2O
Molecular Weight298.35 g/mol
Exact Mass298.11
IUPAC Name2-amino-3-formyl-4,6-diphenylbenzonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccccc2)c(C=O)c1N
InChIInChI=1S/C20H14N2O/c21-12-18-16(14-7-3-1-4-8-14)11-17(19(13-23)20(18)22)15-9-5-2-6-10-15/h1-11,13H,22H2
InChIKeyISTUWEDIQLYKQH-UHFFFAOYSA-N
XLogP4.29
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(4-methylphenyl)-6-phenylbenzene-1,3-dicarbonitrile
CID 880489
2-amino-4-(4-fluorophenyl)-6-phenylbenzene-1,3-dicarbonitrile
CID 12601373
2,3-diamino-6-phenylbenzonitrile
CID 59218657
2-formylazulene-1-carbonitrile
CID 12674013
2-phenylazulene-1-carbaldehyde
CID 102378835
2-amino-4-anthracen-9-yl-6-(4-methylphenyl)benzene-1,3-dicarbonitrile
CID 3121095
3,6-diphenylbenzene-1,2-dicarbonitrile
CID 10945840
6-amino-2,4-diphenylpyridine-3-carbonitrile
CID 12686862
2,6-diphenyl-4-propan-2-ylbenzonitrile
CID 139441487
4-[3-amino-2,4-dicyano-5-(4-methylphenyl)phenyl]-N,N-dimethylbenzenesulfonamide
CID 15304860
2-amino-4-(4-methylphenyl)-6-(3-nitrophenyl)benzene-1,3-dicarbonitrile
CID 2772313
5-amino-2,7-diphenyl-4-sulfanylidene-1H-quinazoline-6-carbonitrile
CID 131846030

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-formyl-4,6-diphenylbenzonitrile?
The IUPAC name of 2-amino-3-formyl-4,6-diphenylbenzonitrile (CID 101458211) is 2-amino-3-formyl-4,6-diphenylbenzonitrile.
What is the SMILES notation for 2-amino-3-formyl-4,6-diphenylbenzonitrile?
The canonical SMILES for 2-amino-3-formyl-4,6-diphenylbenzonitrile is N#Cc1c(-c2ccccc2)cc(-c2ccccc2)c(C=O)c1N.
What is the InChIKey of 2-amino-3-formyl-4,6-diphenylbenzonitrile?
The InChIKey is ISTUWEDIQLYKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O/c21-12-18-16(14-7-3-1-4-8-14)11-17(19(13-23)20(18)22)15-9-5-2-6-10-15/h1-11,13H,22H2.
What are the key properties of 2-amino-3-formyl-4,6-diphenylbenzonitrile?
2-amino-3-formyl-4,6-diphenylbenzonitrile has a molecular weight of 298.35 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-formyl-4,6-diphenylbenzonitrile is sourced from PubChem (CID 101458211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).