N-[4-[[4-(benzylideneamino)phenyl]methyl]phenyl]-1-phenylmethanimine

C27H22N2 — CID 633047

IUPACN-[4-[[4-(benzylideneamino)phenyl]methyl]phenyl]-1-phenylmethanimine
SMILESC(=N/c1ccc(Cc2ccc(/N=C/c3ccccc3)cc2)cc1)\c1ccccc1
InChIInChI=1S/C27H22N2/c1-3-7-24(8-4-1)20-28-26-15-11-22(12-16-26)19-23-13-17-27(18-14-23)29-21-25-9-5-2-6-10-25/h1-18,20-21H,19H2/b28-20+,29-21+
InChIKeyUIZXDACVJFJEIV-IABPKXMJSA-N
MW374.49 g/mol
LogP6.78
Rot. Bonds6

About N-[4-[[4-(benzylideneamino)phenyl]methyl]phenyl]-1-phenylmethanimine

N-[4-[[4-(benzylideneamino)phenyl]methyl]phenyl]-1-phenylmethanimine (PubChem CID 633047) has the molecular formula C27H22N2 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[4-[[4-(benzylideneamino)phenyl]methyl]phenyl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[4-[[4-(benzylideneamino)phenyl]methyl]phenyl]-1-phenylmethanimine
PubChem CID633047
Molecular FormulaC27H22N2
Molecular Weight374.49 g/mol
Exact Mass374.18
IUPAC NameN-[4-[[4-(benzylideneamino)phenyl]methyl]phenyl]-1-phenylmethanimine
SMILESC(=N/c1ccc(Cc2ccc(/N=C/c3ccccc3)cc2)cc1)\c1ccccc1
InChIInChI=1S/C27H22N2/c1-3-7-24(8-4-1)20-28-26-15-11-22(12-16-26)19-23-13-17-27(18-14-23)29-21-25-9-5-2-6-10-25/h1-18,20-21H,19H2/b28-20+,29-21+
InChIKeyUIZXDACVJFJEIV-IABPKXMJSA-N
XLogP6.78
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-[[4-(benzylideneamino)phenyl]methyl]phenyl]-1-phenylmethanimine 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

N-(Diphenylmethylene)aniline
CID 219140
N-Benzylideneaniline
CID 10858
N-benzylidene-4-methylaniline
CID 75276
N-(4-Methylbenzylidene)-P-toluidine
CID 525721
2-(Benzylideneamino)fluorene
CID 139644
N,N'-Terephthalylidenebis(4-butylaniline)
CID 141503
N-Benzylidene-2-naphthylamine
CID 300779
N,N'-Terephthalylidene-bis(4-fluoroaniline)
CID 321189
Benzenamine, N,N'-(1,4-phenylenedimethylidyne)bis[3-ethynyl-
CID 100502
4-phenyl-N-[(E,3E)-3-(4-phenylphenyl)iminoprop-1-enyl]aniline
CID 6282936
4,4'-{benzene-1,4-diylbis[(E)methylylidenenitrilo]}dibenzonitrile
CID 794690
N-p-Tolyl-2,2-diphenylvinylideneamine
CID 344832

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(benzylideneamino)phenyl]methyl]phenyl]-1-phenylmethanimine?
The IUPAC name of N-[4-[[4-(benzylideneamino)phenyl]methyl]phenyl]-1-phenylmethanimine (CID 633047) is N-[4-[[4-(benzylideneamino)phenyl]methyl]phenyl]-1-phenylmethanimine.
What is the SMILES notation for N-[4-[[4-(benzylideneamino)phenyl]methyl]phenyl]-1-phenylmethanimine?
The canonical SMILES for N-[4-[[4-(benzylideneamino)phenyl]methyl]phenyl]-1-phenylmethanimine is C(=N/c1ccc(Cc2ccc(/N=C/c3ccccc3)cc2)cc1)\c1ccccc1.
What is the InChIKey of N-[4-[[4-(benzylideneamino)phenyl]methyl]phenyl]-1-phenylmethanimine?
The InChIKey is UIZXDACVJFJEIV-IABPKXMJSA-N. The full InChI is InChI=1S/C27H22N2/c1-3-7-24(8-4-1)20-28-26-15-11-22(12-16-26)19-23-13-17-27(18-14-23)29-21-25-9-5-2-6-10-25/h1-18,20-21H,19H2/b28-20+,29-21+.
What are the key properties of N-[4-[[4-(benzylideneamino)phenyl]methyl]phenyl]-1-phenylmethanimine?
N-[4-[[4-(benzylideneamino)phenyl]methyl]phenyl]-1-phenylmethanimine has a molecular weight of 374.49 g/mol, XLogP of 6.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(benzylideneamino)phenyl]methyl]phenyl]-1-phenylmethanimine is sourced from PubChem (CID 633047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).