N-(4-cyclohex-3-en-1-ylphenyl)-N-[4-(4-methylphenyl)phenyl]cyclohepta-1,6-dien-1-amine

C32H33N — CID 146536466

IUPACN-(4-cyclohex-3-en-1-ylphenyl)-N-[4-(4-methylphenyl)phenyl]cyclohepta-1,6-dien-1-amine
SMILESCc1ccc(-c2ccc(N(C3=CCCCC=C3)c3ccc(C4CC=CCC4)cc3)cc2)cc1
InChIInChI=1S/C32H33N/c1-25-13-15-27(16-14-25)29-19-23-32(24-20-29)33(30-11-7-2-3-8-12-30)31-21-17-28(18-22-31)26-9-5-4-6-10-26/h4-5,7,11-24,26H,2-3,6,8-10H2,1H3
InChIKeyNABNZPYOFJPOQJ-UHFFFAOYSA-N
MW431.62 g/mol
LogP9.25
Rot. Bonds5

About N-(4-cyclohex-3-en-1-ylphenyl)-N-[4-(4-methylphenyl)phenyl]cyclohepta-1,6-dien-1-amine

N-(4-cyclohex-3-en-1-ylphenyl)-N-[4-(4-methylphenyl)phenyl]cyclohepta-1,6-dien-1-amine (PubChem CID 146536466) has the molecular formula C32H33N and a molecular weight of 431.62 g/mol. Its IUPAC name is N-(4-cyclohex-3-en-1-ylphenyl)-N-[4-(4-methylphenyl)phenyl]cyclohepta-1,6-dien-1-amine.

Molecular Properties

Compound NameN-(4-cyclohex-3-en-1-ylphenyl)-N-[4-(4-methylphenyl)phenyl]cyclohepta-1,6-dien-1-amine
PubChem CID146536466
Molecular FormulaC32H33N
Molecular Weight431.62 g/mol
Exact Mass431.26
IUPAC NameN-(4-cyclohex-3-en-1-ylphenyl)-N-[4-(4-methylphenyl)phenyl]cyclohepta-1,6-dien-1-amine
SMILESCc1ccc(-c2ccc(N(C3=CCCCC=C3)c3ccc(C4CC=CCC4)cc3)cc2)cc1
InChIInChI=1S/C32H33N/c1-25-13-15-27(16-14-25)29-19-23-32(24-20-29)33(30-11-7-2-3-8-12-30)31-21-17-28(18-22-31)26-9-5-4-6-10-26/h4-5,7,11-24,26H,2-3,6,8-10H2,1H3
InChIKeyNABNZPYOFJPOQJ-UHFFFAOYSA-N
XLogP9.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.62
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexa-1,5-dien-1-yl-4-methyl-N-phenylaniline;ethane
CID 144615927
N-cyclohexa-1,5-dien-1-yl-4-[4-[N-cyclohexa-1,5-dien-1-yl-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]-N-phenylaniline
CID 139394363
N-[4-[4-[4-[4-[cyclohexa-2,4-dien-1-yl-(4-phenylcyclohexa-1,5-dien-1-yl)amino]phenyl]phenyl]phenyl]phenyl]-4-cyclohex-3-en-1-yl-N-phenylaniline
CID 155274085
N-(4-cyclohexylphenyl)-4-methyl-N-(4-propan-2-ylphenyl)aniline
CID 58383017
N-[4-[(1R)-4-(N-[4-[3,5-bis[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)cyclohexa-2,4-dien-1-yl]phenyl]-3-methyl-N-phenylaniline
CID 118554549
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
7-N-(4-cyclohex-3-en-1-ylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 170122172
N-[4-[2,2-dimethyl-3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 18730192
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
(1Z)-N-(4-cyclohex-3-en-1-ylpyridin-1-ium-1-yl)-4-methylbenzenecarboximidate
CID 10541691
ethane;5-methyl-N-[4-[1-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-(4-methylphenyl)cyclohepta-1,6-dien-1-amine
CID 144799096
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159454269

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohex-3-en-1-ylphenyl)-N-[4-(4-methylphenyl)phenyl]cyclohepta-1,6-dien-1-amine?
The IUPAC name of N-(4-cyclohex-3-en-1-ylphenyl)-N-[4-(4-methylphenyl)phenyl]cyclohepta-1,6-dien-1-amine (CID 146536466) is N-(4-cyclohex-3-en-1-ylphenyl)-N-[4-(4-methylphenyl)phenyl]cyclohepta-1,6-dien-1-amine.
What is the SMILES notation for N-(4-cyclohex-3-en-1-ylphenyl)-N-[4-(4-methylphenyl)phenyl]cyclohepta-1,6-dien-1-amine?
The canonical SMILES for N-(4-cyclohex-3-en-1-ylphenyl)-N-[4-(4-methylphenyl)phenyl]cyclohepta-1,6-dien-1-amine is Cc1ccc(-c2ccc(N(C3=CCCCC=C3)c3ccc(C4CC=CCC4)cc3)cc2)cc1.
What is the InChIKey of N-(4-cyclohex-3-en-1-ylphenyl)-N-[4-(4-methylphenyl)phenyl]cyclohepta-1,6-dien-1-amine?
The InChIKey is NABNZPYOFJPOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N/c1-25-13-15-27(16-14-25)29-19-23-32(24-20-29)33(30-11-7-2-3-8-12-30)31-21-17-28(18-22-31)26-9-5-4-6-10-26/h4-5,7,11-24,26H,2-3,6,8-10H2,1H3.
What are the key properties of N-(4-cyclohex-3-en-1-ylphenyl)-N-[4-(4-methylphenyl)phenyl]cyclohepta-1,6-dien-1-amine?
N-(4-cyclohex-3-en-1-ylphenyl)-N-[4-(4-methylphenyl)phenyl]cyclohepta-1,6-dien-1-amine has a molecular weight of 431.62 g/mol, XLogP of 9.25, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohex-3-en-1-ylphenyl)-N-[4-(4-methylphenyl)phenyl]cyclohepta-1,6-dien-1-amine is sourced from PubChem (CID 146536466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).