N-phenyl-N-[3-phenyl-2-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine

C42H29NS — CID 167293295

IUPACN-phenyl-N-[3-phenyl-2-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2cccc(-c3c(-c4ccccc4)cccc3N(c3ccccc3)c3ccc4c(c3)sc3ccccc34)c2)cc1
InChIInChI=1S/C42H29NS/c1-4-14-30(15-5-1)32-18-12-19-33(28-32)42-36(31-16-6-2-7-17-31)23-13-24-39(42)43(34-20-8-3-9-21-34)35-26-27-38-37-22-10-11-25-40(37)44-41(38)29-35/h1-29H
InChIKeyQROIDRVPAIPFFM-UHFFFAOYSA-N
MW579.77 g/mol
LogP12.53
Rot. Bonds6

About N-phenyl-N-[3-phenyl-2-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine

N-phenyl-N-[3-phenyl-2-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine (PubChem CID 167293295) has the molecular formula C42H29NS and a molecular weight of 579.77 g/mol. Its IUPAC name is N-phenyl-N-[3-phenyl-2-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-phenyl-N-[3-phenyl-2-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine
PubChem CID167293295
Molecular FormulaC42H29NS
Molecular Weight579.77 g/mol
Exact Mass579.20
IUPAC NameN-phenyl-N-[3-phenyl-2-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2cccc(-c3c(-c4ccccc4)cccc3N(c3ccccc3)c3ccc4c(c3)sc3ccccc34)c2)cc1
InChIInChI=1S/C42H29NS/c1-4-14-30(15-5-1)32-18-12-19-33(28-32)42-36(31-16-6-2-7-17-31)23-13-24-39(42)43(34-20-8-3-9-21-34)35-26-27-38-37-22-10-11-25-40(37)44-41(38)29-35/h1-29H
InChIKeyQROIDRVPAIPFFM-UHFFFAOYSA-N
XLogP12.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.77
LogP ≤ 512.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-phenyl-N-[3-phenyl-2-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine 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-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyldibenzothiophen-3-amine
CID 167293286
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168789864
2-dibenzothiophen-1-yl-3-phenyl-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170665716
N-(2-dibenzothiophen-3-yl-3-phenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 170666062
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-2-amine
CID 172502933
N-(2-phenylphenyl)-N-tetraphenylen-2-yldibenzothiophen-3-amine
CID 138493702
N-(2-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 170665863
3-dibenzothiophen-3-yl-2-phenanthren-9-yl-N,N-bis(4-phenylphenyl)aniline
CID 177274580
N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]dibenzothiophen-3-amine
CID 153299795
6-N-dibenzothiophen-3-yl-4-N,4-N-diphenyl-6-N-(4-phenylphenyl)dibenzothiophene-4,6-diamine
CID 146576004
1-N-dibenzothiophen-3-yl-4-N-phenyl-4-N-(4-phenylnaphthalen-1-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 177116967
2-dibenzothiophen-3-yl-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 167325670

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[3-phenyl-2-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine?
The IUPAC name of N-phenyl-N-[3-phenyl-2-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine (CID 167293295) is N-phenyl-N-[3-phenyl-2-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine.
What is the SMILES notation for N-phenyl-N-[3-phenyl-2-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine?
The canonical SMILES for N-phenyl-N-[3-phenyl-2-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine is c1ccc(-c2cccc(-c3c(-c4ccccc4)cccc3N(c3ccccc3)c3ccc4c(c3)sc3ccccc34)c2)cc1.
What is the InChIKey of N-phenyl-N-[3-phenyl-2-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine?
The InChIKey is QROIDRVPAIPFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29NS/c1-4-14-30(15-5-1)32-18-12-19-33(28-32)42-36(31-16-6-2-7-17-31)23-13-24-39(42)43(34-20-8-3-9-21-34)35-26-27-38-37-22-10-11-25-40(37)44-41(38)29-35/h1-29H.
What are the key properties of N-phenyl-N-[3-phenyl-2-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine?
N-phenyl-N-[3-phenyl-2-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine has a molecular weight of 579.77 g/mol, XLogP of 12.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[3-phenyl-2-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 167293295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).