4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]-N-[4-(2-phenyl-1H-[1]benzothiolo[3,2-e]indol-8-yl)phenyl]aniline

C52H38N2S — CID 170266204

IUPAC4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]-N-[4-(2-phenyl-1H-[1]benzothiolo[3,2-e]indol-8-yl)phenyl]aniline
SMILESCc1ccc(-c2ccc(N(c3ccc(-c4ccc(C)cc4)cc3)c3ccc(-c4ccc5c(c4)sc4ccc6c(c45)CC(c4ccccc4)=N6)cc3)cc2)cc1
InChIInChI=1S/C52H38N2S/c1-34-8-12-36(13-9-34)38-16-23-43(24-17-38)54(44-25-18-39(19-26-44)37-14-10-35(2)11-15-37)45-27-20-40(21-28-45)42-22-29-46-51(32-42)55-50-31-30-48-47(52(46)50)33-49(53-48)41-6-4-3-5-7-41/h3-32H,33H2,1-2H3
InChIKeyBRBPTKOJFMWJEA-UHFFFAOYSA-N
MW722.96 g/mol
LogP14.82
Rot. Bonds7

About 4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]-N-[4-(2-phenyl-1H-[1]benzothiolo[3,2-e]indol-8-yl)phenyl]aniline

4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]-N-[4-(2-phenyl-1H-[1]benzothiolo[3,2-e]indol-8-yl)phenyl]aniline (PubChem CID 170266204) has the molecular formula C52H38N2S and a molecular weight of 722.96 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]-N-[4-(2-phenyl-1H-[1]benzothiolo[3,2-e]indol-8-yl)phenyl]aniline.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]-N-[4-(2-phenyl-1H-[1]benzothiolo[3,2-e]indol-8-yl)phenyl]aniline
PubChem CID170266204
Molecular FormulaC52H38N2S
Molecular Weight722.96 g/mol
Exact Mass722.28
IUPAC Name4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]-N-[4-(2-phenyl-1H-[1]benzothiolo[3,2-e]indol-8-yl)phenyl]aniline
SMILESCc1ccc(-c2ccc(N(c3ccc(-c4ccc(C)cc4)cc3)c3ccc(-c4ccc5c(c4)sc4ccc6c(c45)CC(c4ccccc4)=N6)cc3)cc2)cc1
InChIInChI=1S/C52H38N2S/c1-34-8-12-36(13-9-34)38-16-23-43(24-17-38)54(44-25-18-39(19-26-44)37-14-10-35(2)11-15-37)45-27-20-40(21-28-45)42-22-29-46-51(32-42)55-50-31-30-48-47(52(46)50)33-49(53-48)41-6-4-3-5-7-41/h3-32H,33H2,1-2H3
InChIKeyBRBPTKOJFMWJEA-UHFFFAOYSA-N
XLogP14.82
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.96
LogP ≤ 514.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]-N-[4-(2-phenyl-1H-[1]benzothiolo[3,2-e]indol-8-yl)phenyl]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

N,4-diphenyl-N-[4-(7-phenyldibenzothiophen-3-yl)phenyl]aniline
CID 118186820
N-[4-(3-dibenzothiophen-1-ylphenyl)phenyl]-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 121261361
N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-N,4-diphenylaniline
CID 170096283
3-N,3-N,7-N,7-N-tetrakis(4-phenylphenyl)dibenzothiophene-3,7-diamine
CID 121327972
N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N,4-diphenylaniline
CID 118186818
N-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-4-phenylaniline
CID 121261338
8-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90076252
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781
N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-8-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 171411412
N-[4-([1]benzothiolo[3,2-c]pyridin-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166860803
N-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-N-phenylnaphthalen-2-amine
CID 170038826
4-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]dibenzothiophen-3-yl]-N,N-diphenylaniline
CID 169280921

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]-N-[4-(2-phenyl-1H-[1]benzothiolo[3,2-e]indol-8-yl)phenyl]aniline?
The IUPAC name of 4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]-N-[4-(2-phenyl-1H-[1]benzothiolo[3,2-e]indol-8-yl)phenyl]aniline (CID 170266204) is 4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]-N-[4-(2-phenyl-1H-[1]benzothiolo[3,2-e]indol-8-yl)phenyl]aniline.
What is the SMILES notation for 4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]-N-[4-(2-phenyl-1H-[1]benzothiolo[3,2-e]indol-8-yl)phenyl]aniline?
The canonical SMILES for 4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]-N-[4-(2-phenyl-1H-[1]benzothiolo[3,2-e]indol-8-yl)phenyl]aniline is Cc1ccc(-c2ccc(N(c3ccc(-c4ccc(C)cc4)cc3)c3ccc(-c4ccc5c(c4)sc4ccc6c(c45)CC(c4ccccc4)=N6)cc3)cc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]-N-[4-(2-phenyl-1H-[1]benzothiolo[3,2-e]indol-8-yl)phenyl]aniline?
The InChIKey is BRBPTKOJFMWJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N2S/c1-34-8-12-36(13-9-34)38-16-23-43(24-17-38)54(44-25-18-39(19-26-44)37-14-10-35(2)11-15-37)45-27-20-40(21-28-45)42-22-29-46-51(32-42)55-50-31-30-48-47(52(46)50)33-49(53-48)41-6-4-3-5-7-41/h3-32H,33H2,1-2H3.
What are the key properties of 4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]-N-[4-(2-phenyl-1H-[1]benzothiolo[3,2-e]indol-8-yl)phenyl]aniline?
4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]-N-[4-(2-phenyl-1H-[1]benzothiolo[3,2-e]indol-8-yl)phenyl]aniline has a molecular weight of 722.96 g/mol, XLogP of 14.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]-N-[4-(2-phenyl-1H-[1]benzothiolo[3,2-e]indol-8-yl)phenyl]aniline is sourced from PubChem (CID 170266204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).