N-methyl-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]aniline

C32H29N — CID 129281968

IUPACN-methyl-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]aniline
SMILESCc1ccc(-c2cccc(-c3cccc(C4=CCC(N(C)c5ccccc5)C=C4)c3)c2)cc1
InChIInChI=1S/C32H29N/c1-24-14-16-25(17-15-24)27-8-6-10-29(22-27)30-11-7-9-28(23-30)26-18-20-32(21-19-26)33(2)31-12-4-3-5-13-31/h3-20,22-23,32H,21H2,1-2H3
InChIKeyADDJZAKHIQJLFB-UHFFFAOYSA-N
MW427.59 g/mol
LogP8.18
Rot. Bonds5

About N-methyl-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]aniline

N-methyl-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]aniline (PubChem CID 129281968) has the molecular formula C32H29N and a molecular weight of 427.59 g/mol. Its IUPAC name is N-methyl-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]aniline.

Molecular Properties

Compound NameN-methyl-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]aniline
PubChem CID129281968
Molecular FormulaC32H29N
Molecular Weight427.59 g/mol
Exact Mass427.23
IUPAC NameN-methyl-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]aniline
SMILESCc1ccc(-c2cccc(-c3cccc(C4=CCC(N(C)c5ccccc5)C=C4)c3)c2)cc1
InChIInChI=1S/C32H29N/c1-24-14-16-25(17-15-24)27-8-6-10-29(22-27)30-11-7-9-28(23-30)26-18-20-32(21-19-26)33(2)31-12-4-3-5-13-31/h3-20,22-23,32H,21H2,1-2H3
InChIKeyADDJZAKHIQJLFB-UHFFFAOYSA-N
XLogP8.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-methyl-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]aniline 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

4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(4-methylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 144854487
N-methyl-4-[3-(4-methylphenyl)phenyl]-N-phenylaniline
CID 58151391
5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-2-[4-phenyl-2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline
CID 139322280
9,9-dimethyl-2-N,2-N-diphenyl-7-N-(4-phenylcyclohexa-2,4-dien-1-yl)-7-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 167250657
N-methyl-N-phenylaniline;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;1-methyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene
CID 157193805
1-N-(4-methylphenyl)-4-N-[4-[4-[3-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 22944759
N,N-bis(4-methylphenyl)-3-phenylaniline
CID 140818331
N-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 58410428
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylcyclohexa-2,4-dien-1-yl)naphthalen-1-amine
CID 135299557
1,1'-biphenyl;1,3-diphenylbenzene;1,4-diphenylbenzene;ethane;toluene
CID 165006736
1-N-(4-methylcyclohexa-2,4-dien-1-yl)-1-N-(4-methylphenyl)-4-N,4-N-diphenylbenzene-1,4-diamine
CID 143286493
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]aniline?
The IUPAC name of N-methyl-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]aniline (CID 129281968) is N-methyl-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]aniline.
What is the SMILES notation for N-methyl-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]aniline?
The canonical SMILES for N-methyl-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]aniline is Cc1ccc(-c2cccc(-c3cccc(C4=CCC(N(C)c5ccccc5)C=C4)c3)c2)cc1.
What is the InChIKey of N-methyl-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]aniline?
The InChIKey is ADDJZAKHIQJLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N/c1-24-14-16-25(17-15-24)27-8-6-10-29(22-27)30-11-7-9-28(23-30)26-18-20-32(21-19-26)33(2)31-12-4-3-5-13-31/h3-20,22-23,32H,21H2,1-2H3.
What are the key properties of N-methyl-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]aniline?
N-methyl-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]aniline has a molecular weight of 427.59 g/mol, XLogP of 8.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]cyclohexa-2,4-dien-1-yl]aniline is sourced from PubChem (CID 129281968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).