2-chloro-N,N-diphenyl-3-[3-(N-phenylanilino)phenoxy]aniline

C36H27ClN2O — CID 118220078

IUPAC2-chloro-N,N-diphenyl-3-[3-(N-phenylanilino)phenoxy]aniline
SMILESClc1c(Oc2cccc(N(c3ccccc3)c3ccccc3)c2)cccc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H27ClN2O/c37-36-34(39(30-19-9-3-10-20-30)31-21-11-4-12-22-31)25-14-26-35(36)40-33-24-13-23-32(27-33)38(28-15-5-1-6-16-28)29-17-7-2-8-18-29/h1-27H
InChIKeyGRJOCTYXYOOKRM-UHFFFAOYSA-N
MW539.08 g/mol
LogP11.07
Rot. Bonds8

About 2-chloro-N,N-diphenyl-3-[3-(N-phenylanilino)phenoxy]aniline

2-chloro-N,N-diphenyl-3-[3-(N-phenylanilino)phenoxy]aniline (PubChem CID 118220078) has the molecular formula C36H27ClN2O and a molecular weight of 539.08 g/mol. Its IUPAC name is 2-chloro-N,N-diphenyl-3-[3-(N-phenylanilino)phenoxy]aniline.

Molecular Properties

Compound Name2-chloro-N,N-diphenyl-3-[3-(N-phenylanilino)phenoxy]aniline
PubChem CID118220078
Molecular FormulaC36H27ClN2O
Molecular Weight539.08 g/mol
Exact Mass538.18
IUPAC Name2-chloro-N,N-diphenyl-3-[3-(N-phenylanilino)phenoxy]aniline
SMILESClc1c(Oc2cccc(N(c3ccccc3)c3ccccc3)c2)cccc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H27ClN2O/c37-36-34(39(30-19-9-3-10-20-30)31-21-11-4-12-22-31)25-14-26-35(36)40-33-24-13-23-32(27-33)38(28-15-5-1-6-16-28)29-17-7-2-8-18-29/h1-27H
InChIKeyGRJOCTYXYOOKRM-UHFFFAOYSA-N
XLogP11.07
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.08
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N,N-diphenyl-3-[3-(N-phenylanilino)phenoxy]aniline 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 2-chloro-N,N-diphenyl-3-[3-(N-phenylanilino)phenoxy]aniline?
The IUPAC name of 2-chloro-N,N-diphenyl-3-[3-(N-phenylanilino)phenoxy]aniline (CID 118220078) is 2-chloro-N,N-diphenyl-3-[3-(N-phenylanilino)phenoxy]aniline.
What is the SMILES notation for 2-chloro-N,N-diphenyl-3-[3-(N-phenylanilino)phenoxy]aniline?
The canonical SMILES for 2-chloro-N,N-diphenyl-3-[3-(N-phenylanilino)phenoxy]aniline is Clc1c(Oc2cccc(N(c3ccccc3)c3ccccc3)c2)cccc1N(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-chloro-N,N-diphenyl-3-[3-(N-phenylanilino)phenoxy]aniline?
The InChIKey is GRJOCTYXYOOKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27ClN2O/c37-36-34(39(30-19-9-3-10-20-30)31-21-11-4-12-22-31)25-14-26-35(36)40-33-24-13-23-32(27-33)38(28-15-5-1-6-16-28)29-17-7-2-8-18-29/h1-27H.
What are the key properties of 2-chloro-N,N-diphenyl-3-[3-(N-phenylanilino)phenoxy]aniline?
2-chloro-N,N-diphenyl-3-[3-(N-phenylanilino)phenoxy]aniline has a molecular weight of 539.08 g/mol, XLogP of 11.07, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diphenyl-3-[3-(N-phenylanilino)phenoxy]aniline is sourced from PubChem (CID 118220078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).