3,4-bis(3-methylphenyl)-1-N,2-N,6-triphenylbenzene-1,2-diamine

C38H32N2 — CID 141084699

IUPAC3,4-bis(3-methylphenyl)-1-N,2-N,6-triphenylbenzene-1,2-diamine
SMILESCc1cccc(-c2cc(-c3ccccc3)c(Nc3ccccc3)c(Nc3ccccc3)c2-c2cccc(C)c2)c1
InChIInChI=1S/C38H32N2/c1-27-14-12-18-30(24-27)34-26-35(29-16-6-3-7-17-29)37(39-32-20-8-4-9-21-32)38(40-33-22-10-5-11-23-33)36(34)31-19-13-15-28(2)25-31/h3-26,39-40H,1-2H3
InChIKeyIPSWEPIMNVVGKH-UHFFFAOYSA-N
MW516.69 g/mol
LogP10.79
Rot. Bonds7

About 3,4-bis(3-methylphenyl)-1-N,2-N,6-triphenylbenzene-1,2-diamine

3,4-bis(3-methylphenyl)-1-N,2-N,6-triphenylbenzene-1,2-diamine (PubChem CID 141084699) has the molecular formula C38H32N2 and a molecular weight of 516.69 g/mol. Its IUPAC name is 3,4-bis(3-methylphenyl)-1-N,2-N,6-triphenylbenzene-1,2-diamine.

Molecular Properties

Compound Name3,4-bis(3-methylphenyl)-1-N,2-N,6-triphenylbenzene-1,2-diamine
PubChem CID141084699
Molecular FormulaC38H32N2
Molecular Weight516.69 g/mol
Exact Mass516.26
IUPAC Name3,4-bis(3-methylphenyl)-1-N,2-N,6-triphenylbenzene-1,2-diamine
SMILESCc1cccc(-c2cc(-c3ccccc3)c(Nc3ccccc3)c(Nc3ccccc3)c2-c2cccc(C)c2)c1
InChIInChI=1S/C38H32N2/c1-27-14-12-18-30(24-27)34-26-35(29-16-6-3-7-17-29)37(39-32-20-8-4-9-21-32)38(40-33-22-10-5-11-23-33)36(34)31-19-13-15-28(2)25-31/h3-26,39-40H,1-2H3
InChIKeyIPSWEPIMNVVGKH-UHFFFAOYSA-N
XLogP10.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.69
LogP ≤ 510.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,4-bis(3-methylphenyl)-1-N,2-N,6-triphenylbenzene-1,2-diamine 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

3-[3-(3-methylanilino)phenyl]-N-(3-methylphenyl)-2,6-diphenylaniline
CID 70136715
methane;1-(3-methylphenyl)-2,3,4,5-tetraphenylbenzene
CID 142335654
1,2-bis[3-(3-methylphenyl)phenyl]-4,5-diphenylbenzene
CID 59552772
1,1'-biphenyl;3-methyl-N-phenylaniline
CID 19838437
4-(4-anilinophenyl)-2-(3-methylphenyl)-N-phenylaniline
CID 67215708
N-[4-(4-anilinophenyl)phenyl]-3-methylaniline
CID 90221896
2-(3-methylphenyl)-6-phenylaniline
CID 150906011
2-anilino-5-(3-methylphenyl)-1H-pyrimidin-6-one
CID 131860822
4-(3-methylphenyl)-1,2-diphenylbenzene
CID 59171658
5-methyl-N-(5-methyl-2-phenylphenyl)-2-phenylaniline
CID 18332092
ethane;1-methyl-3-phenylbenzene
CID 142040878
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(3-methylphenyl)-1-N,2-N,6-triphenylbenzene-1,2-diamine?
The IUPAC name of 3,4-bis(3-methylphenyl)-1-N,2-N,6-triphenylbenzene-1,2-diamine (CID 141084699) is 3,4-bis(3-methylphenyl)-1-N,2-N,6-triphenylbenzene-1,2-diamine.
What is the SMILES notation for 3,4-bis(3-methylphenyl)-1-N,2-N,6-triphenylbenzene-1,2-diamine?
The canonical SMILES for 3,4-bis(3-methylphenyl)-1-N,2-N,6-triphenylbenzene-1,2-diamine is Cc1cccc(-c2cc(-c3ccccc3)c(Nc3ccccc3)c(Nc3ccccc3)c2-c2cccc(C)c2)c1.
What is the InChIKey of 3,4-bis(3-methylphenyl)-1-N,2-N,6-triphenylbenzene-1,2-diamine?
The InChIKey is IPSWEPIMNVVGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N2/c1-27-14-12-18-30(24-27)34-26-35(29-16-6-3-7-17-29)37(39-32-20-8-4-9-21-32)38(40-33-22-10-5-11-23-33)36(34)31-19-13-15-28(2)25-31/h3-26,39-40H,1-2H3.
What are the key properties of 3,4-bis(3-methylphenyl)-1-N,2-N,6-triphenylbenzene-1,2-diamine?
3,4-bis(3-methylphenyl)-1-N,2-N,6-triphenylbenzene-1,2-diamine has a molecular weight of 516.69 g/mol, XLogP of 10.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(3-methylphenyl)-1-N,2-N,6-triphenylbenzene-1,2-diamine is sourced from PubChem (CID 141084699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).