N-[4-(4-methylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)bicyclo[4.1.0]hepta-2,4-dien-1-amine

C38H31N — CID 144619494

IUPACN-[4-(4-methylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)bicyclo[4.1.0]hepta-2,4-dien-1-amine
SMILESCc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)C34C=CC(c5ccccc5)=CC3C4)cc2)cc1
InChIInChI=1S/C38H31N/c1-28-12-14-31(15-13-28)33-18-22-37(23-19-33)39(36-20-16-32(17-21-36)29-8-4-2-5-9-29)38-25-24-34(26-35(38)27-38)30-10-6-3-7-11-30/h2-26,35H,27H2,1H3
InChIKeyYCWICOGQUOMPSH-UHFFFAOYSA-N
MW501.67 g/mol
LogP9.88
Rot. Bonds6

About N-[4-(4-methylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)bicyclo[4.1.0]hepta-2,4-dien-1-amine

N-[4-(4-methylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)bicyclo[4.1.0]hepta-2,4-dien-1-amine (PubChem CID 144619494) has the molecular formula C38H31N and a molecular weight of 501.67 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)bicyclo[4.1.0]hepta-2,4-dien-1-amine.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)bicyclo[4.1.0]hepta-2,4-dien-1-amine
PubChem CID144619494
Molecular FormulaC38H31N
Molecular Weight501.67 g/mol
Exact Mass501.25
IUPAC NameN-[4-(4-methylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)bicyclo[4.1.0]hepta-2,4-dien-1-amine
SMILESCc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)C34C=CC(c5ccccc5)=CC3C4)cc2)cc1
InChIInChI=1S/C38H31N/c1-28-12-14-31(15-13-28)33-18-22-37(23-19-33)39(36-20-16-32(17-21-36)29-8-4-2-5-9-29)38-25-24-34(26-35(38)27-38)30-10-6-3-7-11-30/h2-26,35H,27H2,1H3
InChIKeyYCWICOGQUOMPSH-UHFFFAOYSA-N
XLogP9.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.67
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-(4-methylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)bicyclo[4.1.0]hepta-2,4-dien-1-amine 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'-bis(4-methylphenyl)-1-N,1-N',4-triphenylcyclohexa-2,4-diene-1,1-diamine
CID 66967892
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781
N-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 143685330
4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(4-methylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 144854487
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 129111085
6-N-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-3-N,3-N,6-N-tris(4-methylphenyl)-9,9a-dihydro-4aH-carbazole-3,6-diamine
CID 142304346
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 21351107
4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 171844865
4-methyl-N-[4-[4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 22598588

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)bicyclo[4.1.0]hepta-2,4-dien-1-amine?
The IUPAC name of N-[4-(4-methylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)bicyclo[4.1.0]hepta-2,4-dien-1-amine (CID 144619494) is N-[4-(4-methylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)bicyclo[4.1.0]hepta-2,4-dien-1-amine.
What is the SMILES notation for N-[4-(4-methylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)bicyclo[4.1.0]hepta-2,4-dien-1-amine?
The canonical SMILES for N-[4-(4-methylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)bicyclo[4.1.0]hepta-2,4-dien-1-amine is Cc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)C34C=CC(c5ccccc5)=CC3C4)cc2)cc1.
What is the InChIKey of N-[4-(4-methylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)bicyclo[4.1.0]hepta-2,4-dien-1-amine?
The InChIKey is YCWICOGQUOMPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H31N/c1-28-12-14-31(15-13-28)33-18-22-37(23-19-33)39(36-20-16-32(17-21-36)29-8-4-2-5-9-29)38-25-24-34(26-35(38)27-38)30-10-6-3-7-11-30/h2-26,35H,27H2,1H3.
What are the key properties of N-[4-(4-methylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)bicyclo[4.1.0]hepta-2,4-dien-1-amine?
N-[4-(4-methylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)bicyclo[4.1.0]hepta-2,4-dien-1-amine has a molecular weight of 501.67 g/mol, XLogP of 9.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)bicyclo[4.1.0]hepta-2,4-dien-1-amine is sourced from PubChem (CID 144619494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).