N-dibenzothiophen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b][1]benzothiol-2-amine

C38H23NS3 — CID 155135337

IUPACN-dibenzothiophen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b][1]benzothiol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)sc3c5ccccc5sc43)c3ccc4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C38H23NS3/c1-2-8-24(9-3-1)25-14-16-26(17-15-25)39(27-19-21-35-32(22-27)29-10-4-6-12-33(29)40-35)28-18-20-31-36(23-28)42-37-30-11-5-7-13-34(30)41-38(31)37/h1-23H
InChIKeyHJXDZKCRNDBLOH-UHFFFAOYSA-N
MW589.81 g/mol
LogP12.77
Rot. Bonds4

About N-dibenzothiophen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b][1]benzothiol-2-amine

N-dibenzothiophen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b][1]benzothiol-2-amine (PubChem CID 155135337) has the molecular formula C38H23NS3 and a molecular weight of 589.81 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b][1]benzothiol-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b][1]benzothiol-2-amine
PubChem CID155135337
Molecular FormulaC38H23NS3
Molecular Weight589.81 g/mol
Exact Mass589.10
IUPAC NameN-dibenzothiophen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b][1]benzothiol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)sc3c5ccccc5sc43)c3ccc4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C38H23NS3/c1-2-8-24(9-3-1)25-14-16-26(17-15-25)39(27-19-21-35-32(22-27)29-10-4-6-12-33(29)40-35)28-18-20-31-36(23-28)42-37-30-11-5-7-13-34(30)41-38(31)37/h1-23H
InChIKeyHJXDZKCRNDBLOH-UHFFFAOYSA-N
XLogP12.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.81
LogP ≤ 512.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-dibenzothiophen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b][1]benzothiol-2-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-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 154031425
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873
8-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90076252
N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139552059
2-N,7-N-di(dibenzothiophen-2-yl)-7-N-dibenzothiophen-3-yl-2-N-phenyldibenzothiophene-2,7-diamine
CID 130327123
N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 159690784
2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131979910
N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 157402984
3-N,3-N,7-N,7-N-tetrakis(4-phenylphenyl)dibenzothiophene-3,7-diamine
CID 121327972
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-35-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.028,36.029,34]heptatriaconta-1(37),2(7),3,5,8,10,12,14,16,18,20,22,24,26,28(36),29,31,33-octadecaen-5-amine
CID 130465151
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90350992

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b][1]benzothiol-2-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b][1]benzothiol-2-amine (CID 155135337) is N-dibenzothiophen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b][1]benzothiol-2-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b][1]benzothiol-2-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b][1]benzothiol-2-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)sc3c5ccccc5sc43)c3ccc4sc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b][1]benzothiol-2-amine?
The InChIKey is HJXDZKCRNDBLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23NS3/c1-2-8-24(9-3-1)25-14-16-26(17-15-25)39(27-19-21-35-32(22-27)29-10-4-6-12-33(29)40-35)28-18-20-31-36(23-28)42-37-30-11-5-7-13-34(30)41-38(31)37/h1-23H.
What are the key properties of N-dibenzothiophen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b][1]benzothiol-2-amine?
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b][1]benzothiol-2-amine has a molecular weight of 589.81 g/mol, XLogP of 12.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b][1]benzothiol-2-amine is sourced from PubChem (CID 155135337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).