N-[3-chloro-5-(4-phenylphenyl)sulfanylphenyl]-2,6-diphenyl-N-(4-phenylphenyl)aniline

C48H34ClNS — CID 169030502

IUPACN-[3-chloro-5-(4-phenylphenyl)sulfanylphenyl]-2,6-diphenyl-N-(4-phenylphenyl)aniline
SMILESClc1cc(Sc2ccc(-c3ccccc3)cc2)cc(N(c2ccc(-c3ccccc3)cc2)c2c(-c3ccccc3)cccc2-c2ccccc2)c1
InChIInChI=1S/C48H34ClNS/c49-41-32-43(34-45(33-41)51-44-30-26-38(27-31-44)36-16-7-2-8-17-36)50(42-28-24-37(25-29-42)35-14-5-1-6-15-35)48-46(39-18-9-3-10-19-39)22-13-23-47(48)40-20-11-4-12-21-40/h1-34H
InChIKeyPFCDRCKOVPCJDO-UHFFFAOYSA-N
MW692.33 g/mol
LogP14.63
Rot. Bonds9

About N-[3-chloro-5-(4-phenylphenyl)sulfanylphenyl]-2,6-diphenyl-N-(4-phenylphenyl)aniline

N-[3-chloro-5-(4-phenylphenyl)sulfanylphenyl]-2,6-diphenyl-N-(4-phenylphenyl)aniline (PubChem CID 169030502) has the molecular formula C48H34ClNS and a molecular weight of 692.33 g/mol. Its IUPAC name is N-[3-chloro-5-(4-phenylphenyl)sulfanylphenyl]-2,6-diphenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[3-chloro-5-(4-phenylphenyl)sulfanylphenyl]-2,6-diphenyl-N-(4-phenylphenyl)aniline
PubChem CID169030502
Molecular FormulaC48H34ClNS
Molecular Weight692.33 g/mol
Exact Mass691.21
IUPAC NameN-[3-chloro-5-(4-phenylphenyl)sulfanylphenyl]-2,6-diphenyl-N-(4-phenylphenyl)aniline
SMILESClc1cc(Sc2ccc(-c3ccccc3)cc2)cc(N(c2ccc(-c3ccccc3)cc2)c2c(-c3ccccc3)cccc2-c2ccccc2)c1
InChIInChI=1S/C48H34ClNS/c49-41-32-43(34-45(33-41)51-44-30-26-38(27-31-44)36-16-7-2-8-17-36)50(42-28-24-37(25-29-42)35-14-5-1-6-15-35)48-46(39-18-9-3-10-19-39)22-13-23-47(48)40-20-11-4-12-21-40/h1-34H
InChIKeyPFCDRCKOVPCJDO-UHFFFAOYSA-N
XLogP14.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.33
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[3-chloro-5-(4-phenylphenyl)sulfanylphenyl]-2,6-diphenyl-N-(4-phenylphenyl)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

1-N,3-N-bis(2,6-diphenylphenyl)-1-N,3-N,5-N,5-N-tetrakis(4-phenylphenyl)benzene-1,3,5-triamine
CID 164813761
2,6-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 90132236
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168788768
5-chloro-1-N,1-N-diphenyl-3-N-(2-phenylphenyl)-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 164738275
3,5-dichloro-N-[4-[4-(N-(3,5-dichlorophenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 67786435
N-[4-(2,3-diphenylphenyl)phenyl]-3,5-diphenyl-N-(4-phenylphenyl)aniline
CID 146665501
1-phenyl-2-(4-phenylsulfanylphenyl)benzene
CID 21416504
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665483
N,2,4,6-tetraphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254099
2,4,6-triphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(2,4,6-triphenylphenyl)anilino)phenyl]phenyl]aniline
CID 90132240
N-[4-[2-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121386996
3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 146665629

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(4-phenylphenyl)sulfanylphenyl]-2,6-diphenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[3-chloro-5-(4-phenylphenyl)sulfanylphenyl]-2,6-diphenyl-N-(4-phenylphenyl)aniline (CID 169030502) is N-[3-chloro-5-(4-phenylphenyl)sulfanylphenyl]-2,6-diphenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[3-chloro-5-(4-phenylphenyl)sulfanylphenyl]-2,6-diphenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[3-chloro-5-(4-phenylphenyl)sulfanylphenyl]-2,6-diphenyl-N-(4-phenylphenyl)aniline is Clc1cc(Sc2ccc(-c3ccccc3)cc2)cc(N(c2ccc(-c3ccccc3)cc2)c2c(-c3ccccc3)cccc2-c2ccccc2)c1.
What is the InChIKey of N-[3-chloro-5-(4-phenylphenyl)sulfanylphenyl]-2,6-diphenyl-N-(4-phenylphenyl)aniline?
The InChIKey is PFCDRCKOVPCJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34ClNS/c49-41-32-43(34-45(33-41)51-44-30-26-38(27-31-44)36-16-7-2-8-17-36)50(42-28-24-37(25-29-42)35-14-5-1-6-15-35)48-46(39-18-9-3-10-19-39)22-13-23-47(48)40-20-11-4-12-21-40/h1-34H.
What are the key properties of N-[3-chloro-5-(4-phenylphenyl)sulfanylphenyl]-2,6-diphenyl-N-(4-phenylphenyl)aniline?
N-[3-chloro-5-(4-phenylphenyl)sulfanylphenyl]-2,6-diphenyl-N-(4-phenylphenyl)aniline has a molecular weight of 692.33 g/mol, XLogP of 14.63, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(4-phenylphenyl)sulfanylphenyl]-2,6-diphenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 169030502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).