4-(C,N-diphenylcarbonimidoyl)-N,N-diphenylaniline

C31H24N2 — CID 134172989

IUPAC4-(C,N-diphenylcarbonimidoyl)-N,N-diphenylaniline
SMILESc1ccc(/N=C(\c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C31H24N2/c1-5-13-25(14-6-1)31(32-27-15-7-2-8-16-27)26-21-23-30(24-22-26)33(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-24H/b32-31+
InChIKeyKAWLQVCUQYNIQU-QNEJGDQOSA-N
MW424.55 g/mol
LogP8.33
Rot. Bonds6

About 4-(C,N-diphenylcarbonimidoyl)-N,N-diphenylaniline

4-(C,N-diphenylcarbonimidoyl)-N,N-diphenylaniline (PubChem CID 134172989) has the molecular formula C31H24N2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 4-(C,N-diphenylcarbonimidoyl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(C,N-diphenylcarbonimidoyl)-N,N-diphenylaniline
PubChem CID134172989
Molecular FormulaC31H24N2
Molecular Weight424.55 g/mol
Exact Mass424.19
IUPAC Name4-(C,N-diphenylcarbonimidoyl)-N,N-diphenylaniline
SMILESc1ccc(/N=C(\c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C31H24N2/c1-5-13-25(14-6-1)31(32-27-15-7-2-8-16-27)26-21-23-30(24-22-26)33(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-24H/b32-31+
InChIKeyKAWLQVCUQYNIQU-QNEJGDQOSA-N
XLogP8.33
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(C,N-diphenylcarbonimidoyl)-N,N-diphenylaniline 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

1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[N-phenyl-C-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]carbonimidoyl]phenyl]benzene-1,4-diamine
CID 58390255
4-N-[4-[N-[4-[bis[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]methylideneamino]phenyl]-C-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]carbonimidoyl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-[N-[4-[bis[4-(N-phenylanilino)phenyl]methylideneamino]phenyl]-C-[4-(N-phenylanilino)phenyl]carbonimidoyl]-N,N-diphenylaniline
CID 160656529
1-(4-chlorophenyl)-N,1-diphenylmethanimine
CID 2803926
N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-ethylaniline;1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[N-phenyl-C-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]carbonimidoyl]phenyl]benzene-1,4-diamine;N,N-diphenyl-4-[N-phenyl-C-[4-(N-phenylanilino)phenyl]carbonimidoyl]aniline
CID 160714078
1-N,4-N-bis(3-methylphenyl)-1-N-phenyl-4-N-[2-[3-(N-[4-[N-phenyl-C-[4-(N-phenylanilino)phenyl]carbonimidoyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 138701540
4-[[(4-chlorophenyl)-phenylmethylidene]amino]-N,N-dimethylaniline
CID 56850221
4-[(1E,3E)-1,4-diphenyl-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]-N,N-diphenylaniline
CID 59084118
2-phenyl-3-[4-[[4-(N-phenylanilino)phenyl]diazenyl]phenyl]buta-1,3-diene-1,1,4,4-tetracarbonitrile
CID 101379213
N,N,N'-triphenylbenzenecarboximidamide;hydrochloride
CID 163338390
1-[(E)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-2-phenylguanidine
CID 10043892
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
1,1-bis(3-methylphenyl)-N-phenylmethanimine
CID 59167245

Frequently Asked Questions

What is the IUPAC name of 4-(C,N-diphenylcarbonimidoyl)-N,N-diphenylaniline?
The IUPAC name of 4-(C,N-diphenylcarbonimidoyl)-N,N-diphenylaniline (CID 134172989) is 4-(C,N-diphenylcarbonimidoyl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(C,N-diphenylcarbonimidoyl)-N,N-diphenylaniline?
The canonical SMILES for 4-(C,N-diphenylcarbonimidoyl)-N,N-diphenylaniline is c1ccc(/N=C(\c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-(C,N-diphenylcarbonimidoyl)-N,N-diphenylaniline?
The InChIKey is KAWLQVCUQYNIQU-QNEJGDQOSA-N. The full InChI is InChI=1S/C31H24N2/c1-5-13-25(14-6-1)31(32-27-15-7-2-8-16-27)26-21-23-30(24-22-26)33(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-24H/b32-31+.
What are the key properties of 4-(C,N-diphenylcarbonimidoyl)-N,N-diphenylaniline?
4-(C,N-diphenylcarbonimidoyl)-N,N-diphenylaniline has a molecular weight of 424.55 g/mol, XLogP of 8.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(C,N-diphenylcarbonimidoyl)-N,N-diphenylaniline is sourced from PubChem (CID 134172989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).