N-(4-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-7-amine

C39H26N2S — CID 168738141

IUPACN-(4-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-7-amine
SMILESc1ccc(-c2ccc(N(c3cc(-c4ccccc4)c4ccccc4c3)c3ccc4c(c3)sc3ccncc34)cc2)cc1
InChIInChI=1S/C39H26N2S/c1-3-9-27(10-4-1)28-15-17-31(18-16-28)41(32-19-20-35-37-26-40-22-21-38(37)42-39(35)25-32)33-23-30-13-7-8-14-34(30)36(24-33)29-11-5-2-6-12-29/h1-26H
InChIKeyKSTWPXHZQRHVIB-UHFFFAOYSA-N
MW554.72 g/mol
LogP11.41
Rot. Bonds5

About N-(4-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-7-amine

N-(4-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-7-amine (PubChem CID 168738141) has the molecular formula C39H26N2S and a molecular weight of 554.72 g/mol. Its IUPAC name is N-(4-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-7-amine.

Molecular Properties

Compound NameN-(4-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-7-amine
PubChem CID168738141
Molecular FormulaC39H26N2S
Molecular Weight554.72 g/mol
Exact Mass554.18
IUPAC NameN-(4-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-7-amine
SMILESc1ccc(-c2ccc(N(c3cc(-c4ccccc4)c4ccccc4c3)c3ccc4c(c3)sc3ccncc34)cc2)cc1
InChIInChI=1S/C39H26N2S/c1-3-9-27(10-4-1)28-15-17-31(18-16-28)41(32-19-20-35-37-26-40-22-21-38(37)42-39(35)25-32)33-23-30-13-7-8-14-34(30)36(24-33)29-11-5-2-6-12-29/h1-26H
InChIKeyKSTWPXHZQRHVIB-UHFFFAOYSA-N
XLogP11.41
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.72
LogP ≤ 511.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-7-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-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[2,3-c]pyridin-7-amine
CID 168738319
N-[4-([1]benzothiolo[3,2-c]pyridin-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166860803
N-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine
CID 166917554
N-[4-[3-([1]benzothiolo[3,2-c]pyridin-7-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121295306
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]pyridin-8-amine
CID 166860748
4-([1]benzothiolo[2,3-c]pyridin-7-yl)-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
CID 168737814
N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 166589707
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridin-7-amine
CID 166861466
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 139355163
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-8-amine
CID 163856716
N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 154031425
N-phenanthren-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-9-amine
CID 163908714

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-7-amine?
The IUPAC name of N-(4-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-7-amine (CID 168738141) is N-(4-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-7-amine.
What is the SMILES notation for N-(4-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-7-amine?
The canonical SMILES for N-(4-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-7-amine is c1ccc(-c2ccc(N(c3cc(-c4ccccc4)c4ccccc4c3)c3ccc4c(c3)sc3ccncc34)cc2)cc1.
What is the InChIKey of N-(4-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-7-amine?
The InChIKey is KSTWPXHZQRHVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N2S/c1-3-9-27(10-4-1)28-15-17-31(18-16-28)41(32-19-20-35-37-26-40-22-21-38(37)42-39(35)25-32)33-23-30-13-7-8-14-34(30)36(24-33)29-11-5-2-6-12-29/h1-26H.
What are the key properties of N-(4-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-7-amine?
N-(4-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-7-amine has a molecular weight of 554.72 g/mol, XLogP of 11.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-7-amine is sourced from PubChem (CID 168738141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).