N,N-diphenyl-2-[2-(N-phenylanilino)phenyl]sulfanylaniline

C36H28N2S — CID 175066969

IUPACN,N-diphenyl-2-[2-(N-phenylanilino)phenyl]sulfanylaniline
SMILESc1ccc(N(c2ccccc2)c2ccccc2Sc2ccccc2N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H28N2S/c1-5-17-29(18-6-1)37(30-19-7-2-8-20-30)33-25-13-15-27-35(33)39-36-28-16-14-26-34(36)38(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28H
InChIKeyYRZXQVZBXVXZMO-UHFFFAOYSA-N
MW520.70 g/mol
LogP10.78
Rot. Bonds8

About N,N-diphenyl-2-[2-(N-phenylanilino)phenyl]sulfanylaniline

N,N-diphenyl-2-[2-(N-phenylanilino)phenyl]sulfanylaniline (PubChem CID 175066969) has the molecular formula C36H28N2S and a molecular weight of 520.70 g/mol. Its IUPAC name is N,N-diphenyl-2-[2-(N-phenylanilino)phenyl]sulfanylaniline.

Molecular Properties

Compound NameN,N-diphenyl-2-[2-(N-phenylanilino)phenyl]sulfanylaniline
PubChem CID175066969
Molecular FormulaC36H28N2S
Molecular Weight520.70 g/mol
Exact Mass520.20
IUPAC NameN,N-diphenyl-2-[2-(N-phenylanilino)phenyl]sulfanylaniline
SMILESc1ccc(N(c2ccccc2)c2ccccc2Sc2ccccc2N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H28N2S/c1-5-17-29(18-6-1)37(30-19-7-2-8-20-30)33-25-13-15-27-35(33)39-36-28-16-14-26-34(36)38(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28H
InChIKeyYRZXQVZBXVXZMO-UHFFFAOYSA-N
XLogP10.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.70
LogP ≤ 510.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-diphenyl-2-[2-(N-phenylanilino)phenyl]sulfanylaniline 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,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 24872736
N,N-diphenyl-2-[2-[2-(N-phenylanilino)phenyl]ethynyl]aniline
CID 162514714
2-bromo-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 170040263
N,N-diphenylaniline;silane
CID 131739129
1-N,2-N-bis[2-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 164772262
N,N-diphenylnaphthalen-1-amine
CID 11392281
N,N-diphenyl-5-[5-[5-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine
CID 20607956
N,N-diphenylaniline;ethene
CID 135186601
acetylene;N,N-diphenylaniline
CID 162160270
azane;N,N-diphenylaniline;methane
CID 174725062
N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]sulfanylphenyl]naphthalen-1-amine
CID 58661029
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-2-[2-(N-phenylanilino)phenyl]sulfanylaniline?
The IUPAC name of N,N-diphenyl-2-[2-(N-phenylanilino)phenyl]sulfanylaniline (CID 175066969) is N,N-diphenyl-2-[2-(N-phenylanilino)phenyl]sulfanylaniline.
What is the SMILES notation for N,N-diphenyl-2-[2-(N-phenylanilino)phenyl]sulfanylaniline?
The canonical SMILES for N,N-diphenyl-2-[2-(N-phenylanilino)phenyl]sulfanylaniline is c1ccc(N(c2ccccc2)c2ccccc2Sc2ccccc2N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-diphenyl-2-[2-(N-phenylanilino)phenyl]sulfanylaniline?
The InChIKey is YRZXQVZBXVXZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N2S/c1-5-17-29(18-6-1)37(30-19-7-2-8-20-30)33-25-13-15-27-35(33)39-36-28-16-14-26-34(36)38(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28H.
What are the key properties of N,N-diphenyl-2-[2-(N-phenylanilino)phenyl]sulfanylaniline?
N,N-diphenyl-2-[2-(N-phenylanilino)phenyl]sulfanylaniline has a molecular weight of 520.70 g/mol, XLogP of 10.78, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-2-[2-(N-phenylanilino)phenyl]sulfanylaniline is sourced from PubChem (CID 175066969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).