3-N-dibenzothiophen-2-yl-1-N,5-diphenylbenzene-1,3-diamine

C30H22N2S — CID 139380088

IUPAC3-N-dibenzothiophen-2-yl-1-N,5-diphenylbenzene-1,3-diamine
SMILESc1ccc(Nc2cc(Nc3ccc4sc5ccccc5c4c3)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/C30H22N2S/c1-3-9-21(10-4-1)22-17-25(31-23-11-5-2-6-12-23)19-26(18-22)32-24-15-16-30-28(20-24)27-13-7-8-14-29(27)33-30/h1-20,31-32H
InChIKeySSVWYCZSZLLVRC-UHFFFAOYSA-N
MW442.59 g/mol
LogP9.21
Rot. Bonds5

About 3-N-dibenzothiophen-2-yl-1-N,5-diphenylbenzene-1,3-diamine

3-N-dibenzothiophen-2-yl-1-N,5-diphenylbenzene-1,3-diamine (PubChem CID 139380088) has the molecular formula C30H22N2S and a molecular weight of 442.59 g/mol. Its IUPAC name is 3-N-dibenzothiophen-2-yl-1-N,5-diphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-dibenzothiophen-2-yl-1-N,5-diphenylbenzene-1,3-diamine
PubChem CID139380088
Molecular FormulaC30H22N2S
Molecular Weight442.59 g/mol
Exact Mass442.15
IUPAC Name3-N-dibenzothiophen-2-yl-1-N,5-diphenylbenzene-1,3-diamine
SMILESc1ccc(Nc2cc(Nc3ccc4sc5ccccc5c4c3)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/C30H22N2S/c1-3-9-21(10-4-1)22-17-25(31-23-11-5-2-6-12-23)19-26(18-22)32-24-15-16-30-28(20-24)27-13-7-8-14-29(27)33-30/h1-20,31-32H
InChIKeySSVWYCZSZLLVRC-UHFFFAOYSA-N
XLogP9.21
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.59
LogP ≤ 59.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-N-dibenzothiophen-2-yl-1-N,5-diphenylbenzene-1,3-diamine 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-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(3-phenylphenyl)dibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-2-amine;N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 164973575
8-(3,5-diphenylphenyl)-N-(3-naphthalen-1-yl-5-phenylphenyl)dibenzothiophen-2-amine
CID 118683821
N,9-diphenyldibenzothiophen-2-amine
CID 139422574
1-N-dibenzothiophen-2-yl-3-N,3-N-diphenylbenzene-1,3-diamine
CID 122666295
3-dibenzothiophen-1-yl-N-phenylaniline;3-dibenzothiophen-2-yl-N-phenylaniline;4-dibenzothiophen-4-yl-N-phenylaniline;3-(3-dibenzothiophen-1-ylphenyl)-N-phenylaniline
CID 167592386
N-(3,5-diphenylphenyl)dibenzothiophen-1-amine;N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(6-phenylnaphthalen-2-yl)dibenzothiophen-2-amine;N-(3-phenylphenyl)dibenzothiophen-2-amine
CID 158916839
N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 147227535
N,1-diphenyldibenzothiophen-3-amine
CID 170046068
N-(4-carbazol-9-ylphenyl)dibenzothiophen-2-amine
CID 126621948
4-(9H-carbazol-3-yl)-N-(4-dibenzothiophen-2-ylphenyl)aniline
CID 145299761
N-methyldibenzothiophen-2-amine
CID 138617905
1,1'-biphenyl;4-naphthalen-2-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline
CID 142405945

Frequently Asked Questions

What is the IUPAC name of 3-N-dibenzothiophen-2-yl-1-N,5-diphenylbenzene-1,3-diamine?
The IUPAC name of 3-N-dibenzothiophen-2-yl-1-N,5-diphenylbenzene-1,3-diamine (CID 139380088) is 3-N-dibenzothiophen-2-yl-1-N,5-diphenylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-dibenzothiophen-2-yl-1-N,5-diphenylbenzene-1,3-diamine?
The canonical SMILES for 3-N-dibenzothiophen-2-yl-1-N,5-diphenylbenzene-1,3-diamine is c1ccc(Nc2cc(Nc3ccc4sc5ccccc5c4c3)cc(-c3ccccc3)c2)cc1.
What is the InChIKey of 3-N-dibenzothiophen-2-yl-1-N,5-diphenylbenzene-1,3-diamine?
The InChIKey is SSVWYCZSZLLVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2S/c1-3-9-21(10-4-1)22-17-25(31-23-11-5-2-6-12-23)19-26(18-22)32-24-15-16-30-28(20-24)27-13-7-8-14-29(27)33-30/h1-20,31-32H.
What are the key properties of 3-N-dibenzothiophen-2-yl-1-N,5-diphenylbenzene-1,3-diamine?
3-N-dibenzothiophen-2-yl-1-N,5-diphenylbenzene-1,3-diamine has a molecular weight of 442.59 g/mol, XLogP of 9.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-dibenzothiophen-2-yl-1-N,5-diphenylbenzene-1,3-diamine is sourced from PubChem (CID 139380088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).