2-dibenzothiophen-4-yl-N-phenyl-N-(4-phenylphenyl)aniline

C36H25NS — CID 129274012

IUPAC2-dibenzothiophen-4-yl-N-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3-c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C36H25NS/c1-3-12-26(13-4-1)27-22-24-29(25-23-27)37(28-14-5-2-6-15-28)34-20-9-7-16-30(34)32-18-11-19-33-31-17-8-10-21-35(31)38-36(32)33/h1-25H
InChIKeyYJWFCSXYVJKMKK-UHFFFAOYSA-N
MW503.67 g/mol
LogP10.86
Rot. Bonds5

About 2-dibenzothiophen-4-yl-N-phenyl-N-(4-phenylphenyl)aniline

2-dibenzothiophen-4-yl-N-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 129274012) has the molecular formula C36H25NS and a molecular weight of 503.67 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-N-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-N-phenyl-N-(4-phenylphenyl)aniline
PubChem CID129274012
Molecular FormulaC36H25NS
Molecular Weight503.67 g/mol
Exact Mass503.17
IUPAC Name2-dibenzothiophen-4-yl-N-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3-c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C36H25NS/c1-3-12-26(13-4-1)27-22-24-29(25-23-27)37(28-14-5-2-6-15-28)34-20-9-7-16-30(34)32-18-11-19-33-31-17-8-10-21-35(31)38-36(32)33/h1-25H
InChIKeyYJWFCSXYVJKMKK-UHFFFAOYSA-N
XLogP10.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.67
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-dibenzothiophen-4-yl-N-phenyl-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

N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172500791
N-[2-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 139322283
2-dibenzothiophen-4-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 167325271
N-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 167396867
2-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)-N,N-bis(4-phenylphenyl)aniline
CID 165023015
N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline
CID 168767151
2-[3-(N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]-N,N-diphenylaniline
CID 167086686
N-[3-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167086291
4-dibenzothiophen-4-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline;4-[4-[N-(4-dibenzothiophen-4-ylphenyl)-4-[4-[N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 158485457
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90263900
4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59022057
N-[4-[4-(N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 147452405

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-N-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of 2-dibenzothiophen-4-yl-N-phenyl-N-(4-phenylphenyl)aniline (CID 129274012) is 2-dibenzothiophen-4-yl-N-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2-dibenzothiophen-4-yl-N-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2-dibenzothiophen-4-yl-N-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3-c3cccc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of 2-dibenzothiophen-4-yl-N-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is YJWFCSXYVJKMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25NS/c1-3-12-26(13-4-1)27-22-24-29(25-23-27)37(28-14-5-2-6-15-28)34-20-9-7-16-30(34)32-18-11-19-33-31-17-8-10-21-35(31)38-36(32)33/h1-25H.
What are the key properties of 2-dibenzothiophen-4-yl-N-phenyl-N-(4-phenylphenyl)aniline?
2-dibenzothiophen-4-yl-N-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 503.67 g/mol, XLogP of 10.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-N-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 129274012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).