N-[1-(1H-azepin-2-yl)-2-(4-phenylphenyl)ethenyl]-N-phenylaniline

C32H26N2 — CID 174458561

IUPACN-[1-(1H-azepin-2-yl)-2-(4-phenylphenyl)ethenyl]-N-phenylaniline
SMILESC1=CC=C(C(=Cc2ccc(-c3ccccc3)cc2)N(c2ccccc2)c2ccccc2)NC=C1
InChIInChI=1S/C32H26N2/c1-5-13-27(14-6-1)28-22-20-26(21-23-28)25-32(31-19-11-4-12-24-33-31)34(29-15-7-2-8-16-29)30-17-9-3-10-18-30/h1-25,33H
InChIKeyJYVZUSUXPPBVEE-UHFFFAOYSA-N
MW438.57 g/mol
LogP8.09
Rot. Bonds6

About N-[1-(1H-azepin-2-yl)-2-(4-phenylphenyl)ethenyl]-N-phenylaniline

N-[1-(1H-azepin-2-yl)-2-(4-phenylphenyl)ethenyl]-N-phenylaniline (PubChem CID 174458561) has the molecular formula C32H26N2 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-[1-(1H-azepin-2-yl)-2-(4-phenylphenyl)ethenyl]-N-phenylaniline.

Molecular Properties

Compound NameN-[1-(1H-azepin-2-yl)-2-(4-phenylphenyl)ethenyl]-N-phenylaniline
PubChem CID174458561
Molecular FormulaC32H26N2
Molecular Weight438.57 g/mol
Exact Mass438.21
IUPAC NameN-[1-(1H-azepin-2-yl)-2-(4-phenylphenyl)ethenyl]-N-phenylaniline
SMILESC1=CC=C(C(=Cc2ccc(-c3ccccc3)cc2)N(c2ccccc2)c2ccccc2)NC=C1
InChIInChI=1S/C32H26N2/c1-5-13-27(14-6-1)28-22-20-26(21-23-28)25-32(31-19-11-4-12-24-33-31)34(29-15-7-2-8-16-29)30-17-9-3-10-18-30/h1-25,33H
InChIKeyJYVZUSUXPPBVEE-UHFFFAOYSA-N
XLogP8.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 58.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(1H-azepin-2-yl)-2-(4-phenylphenyl)ethenyl]-N-phenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-azepin-2-yl)-2-(4-phenylphenyl)ethenyl]-N-phenylaniline?
The IUPAC name of N-[1-(1H-azepin-2-yl)-2-(4-phenylphenyl)ethenyl]-N-phenylaniline (CID 174458561) is N-[1-(1H-azepin-2-yl)-2-(4-phenylphenyl)ethenyl]-N-phenylaniline.
What is the SMILES notation for N-[1-(1H-azepin-2-yl)-2-(4-phenylphenyl)ethenyl]-N-phenylaniline?
The canonical SMILES for N-[1-(1H-azepin-2-yl)-2-(4-phenylphenyl)ethenyl]-N-phenylaniline is C1=CC=C(C(=Cc2ccc(-c3ccccc3)cc2)N(c2ccccc2)c2ccccc2)NC=C1.
What is the InChIKey of N-[1-(1H-azepin-2-yl)-2-(4-phenylphenyl)ethenyl]-N-phenylaniline?
The InChIKey is JYVZUSUXPPBVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2/c1-5-13-27(14-6-1)28-22-20-26(21-23-28)25-32(31-19-11-4-12-24-33-31)34(29-15-7-2-8-16-29)30-17-9-3-10-18-30/h1-25,33H.
What are the key properties of N-[1-(1H-azepin-2-yl)-2-(4-phenylphenyl)ethenyl]-N-phenylaniline?
N-[1-(1H-azepin-2-yl)-2-(4-phenylphenyl)ethenyl]-N-phenylaniline has a molecular weight of 438.57 g/mol, XLogP of 8.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-azepin-2-yl)-2-(4-phenylphenyl)ethenyl]-N-phenylaniline is sourced from PubChem (CID 174458561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).