N-(benzhydrylideneamino)benzenecarboximidoyl cyanide

C21H15N3 — CID 165353120

IUPACN-(benzhydrylideneamino)benzenecarboximidoyl cyanide
SMILESN#CC(=NN=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15N3/c22-16-20(17-10-4-1-5-11-17)23-24-21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H
InChIKeyUMCVDBSZTNFJGG-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.45
Rot. Bonds4

About N-(benzhydrylideneamino)benzenecarboximidoyl cyanide

N-(benzhydrylideneamino)benzenecarboximidoyl cyanide (PubChem CID 165353120) has the molecular formula C21H15N3 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(benzhydrylideneamino)benzenecarboximidoyl cyanide.

Molecular Properties

Compound NameN-(benzhydrylideneamino)benzenecarboximidoyl cyanide
PubChem CID165353120
Molecular FormulaC21H15N3
Molecular Weight309.37 g/mol
Exact Mass309.13
IUPAC NameN-(benzhydrylideneamino)benzenecarboximidoyl cyanide
SMILESN#CC(=NN=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15N3/c22-16-20(17-10-4-1-5-11-17)23-24-21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H
InChIKeyUMCVDBSZTNFJGG-UHFFFAOYSA-N
XLogP4.45
TPSA48.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.45
H-Bond Donors ≤ 50
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

(1E)-4-chloro-N-[(E)-[(4-chlorophenyl)-cyanomethylidene]amino]benzenecarboximidoyl cyanide
CID 6512564
2-hydroxyimino-2-phenylacetonitrile;methyl cyanate
CID 173433302
4-[(Z)-N-[(Z)-[(4-aminophenyl)-phenylmethylidene]amino]-C-phenylcarbonimidoyl]aniline
CID 6871279
[[cyano(phenyl)methylidene]amino] benzoate
CID 73037880
N'-(benzhydrylideneamino)ethanimidamide
CID 11128320
[[cyano(phenyl)methylidene]amino] 2-methylprop-2-enoate
CID 76686683
2,3-dibromo-3-phenylprop-2-enenitrile
CID 54113600
2-phenyl-3-sulfanylideneprop-2-enenitrile
CID 12552733
N-(3,4-dichlorophenyl)benzenecarboximidoyl cyanide
CID 88798246
(1E)-N-(diaminomethylideneamino)-3-phenylmethoxybenzenecarboximidoyl cyanide
CID 123660195
4,5-bis(benzhydrylideneamino)benzene-1,2-dicarbonitrile
CID 166638263
(Z)-3-chloro-2,3-diphenylprop-2-enenitrile
CID 21395317

Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)benzenecarboximidoyl cyanide?
The IUPAC name of N-(benzhydrylideneamino)benzenecarboximidoyl cyanide (CID 165353120) is N-(benzhydrylideneamino)benzenecarboximidoyl cyanide.
What is the SMILES notation for N-(benzhydrylideneamino)benzenecarboximidoyl cyanide?
The canonical SMILES for N-(benzhydrylideneamino)benzenecarboximidoyl cyanide is N#CC(=NN=C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(benzhydrylideneamino)benzenecarboximidoyl cyanide?
The InChIKey is UMCVDBSZTNFJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3/c22-16-20(17-10-4-1-5-11-17)23-24-21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H.
What are the key properties of N-(benzhydrylideneamino)benzenecarboximidoyl cyanide?
N-(benzhydrylideneamino)benzenecarboximidoyl cyanide has a molecular weight of 309.37 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)benzenecarboximidoyl cyanide is sourced from PubChem (CID 165353120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).