4-ethenyl-N,N-diphenylcyclohepta-1,4,6-trien-1-amine

C21H19N — CID 163491819

IUPAC4-ethenyl-N,N-diphenylcyclohepta-1,4,6-trien-1-amine
SMILESC=CC1=CC=CC(N(c2ccccc2)c2ccccc2)=CC1
InChIInChI=1S/C21H19N/c1-2-18-10-9-15-21(17-16-18)22(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h2-15,17H,1,16H2
InChIKeyCNHBCGJKZUDCIA-UHFFFAOYSA-N
MW285.39 g/mol
LogP5.78
Rot. Bonds4

About 4-ethenyl-N,N-diphenylcyclohepta-1,4,6-trien-1-amine

4-ethenyl-N,N-diphenylcyclohepta-1,4,6-trien-1-amine (PubChem CID 163491819) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-ethenyl-N,N-diphenylcyclohepta-1,4,6-trien-1-amine.

Molecular Properties

Compound Name4-ethenyl-N,N-diphenylcyclohepta-1,4,6-trien-1-amine
PubChem CID163491819
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC Name4-ethenyl-N,N-diphenylcyclohepta-1,4,6-trien-1-amine
SMILESC=CC1=CC=CC(N(c2ccccc2)c2ccccc2)=CC1
InChIInChI=1S/C21H19N/c1-2-18-10-9-15-21(17-16-18)22(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h2-15,17H,1,16H2
InChIKeyCNHBCGJKZUDCIA-UHFFFAOYSA-N
XLogP5.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-ethenyl-N,N-diphenylcyclohepta-1,4,6-trien-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

4-bromo-N-cyclohepta-1,4,6-trien-1-yl-N-phenylcyclohepta-1,4,6-trien-1-amine
CID 166778176
4-methyl-N,N-diphenyl-5-[(E)-prop-1-enyl]cyclohepta-1,4,6-trien-1-amine
CID 167246239
5-methyl-N,N-diphenylcyclohepta-1,3,5-trien-1-amine
CID 144696503
4-(N-phenylanilino)cyclohexa-2,4-diene-1-carbaldehyde
CID 146953475
N,N-diphenylaniline;ethene
CID 135186601
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
4-[2-(4-ethenylphenyl)ethenyl]-N-[4-[2-(4-ethenylphenyl)ethenyl]phenyl]-N-phenylaniline
CID 142673851
3-ethenyl-N-(3-ethenylphenyl)-N-phenylaniline
CID 58099838
N-cyclohexa-1,5-dien-1-yl-4-methyl-N-phenylaniline;ethane
CID 144615927
N,N-diphenylaniline;silane
CID 131739129
4-[(E)-2-[4-[(E)-2-fluoroethenyl]phenyl]ethenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline
CID 143254565
N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]aniline
CID 67121499

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N,N-diphenylcyclohepta-1,4,6-trien-1-amine?
The IUPAC name of 4-ethenyl-N,N-diphenylcyclohepta-1,4,6-trien-1-amine (CID 163491819) is 4-ethenyl-N,N-diphenylcyclohepta-1,4,6-trien-1-amine.
What is the SMILES notation for 4-ethenyl-N,N-diphenylcyclohepta-1,4,6-trien-1-amine?
The canonical SMILES for 4-ethenyl-N,N-diphenylcyclohepta-1,4,6-trien-1-amine is C=CC1=CC=CC(N(c2ccccc2)c2ccccc2)=CC1.
What is the InChIKey of 4-ethenyl-N,N-diphenylcyclohepta-1,4,6-trien-1-amine?
The InChIKey is CNHBCGJKZUDCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N/c1-2-18-10-9-15-21(17-16-18)22(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h2-15,17H,1,16H2.
What are the key properties of 4-ethenyl-N,N-diphenylcyclohepta-1,4,6-trien-1-amine?
4-ethenyl-N,N-diphenylcyclohepta-1,4,6-trien-1-amine has a molecular weight of 285.39 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N,N-diphenylcyclohepta-1,4,6-trien-1-amine is sourced from PubChem (CID 163491819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).