N-[4-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline

C45H30N2S — CID 166861217

IUPACN-[4-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cccc5c4sc4cnccc45)cc3)cc2)cc1
InChIInChI=1S/C45H30N2S/c1-2-8-31(9-3-1)32-16-22-36(23-17-32)47(37-24-18-34(19-25-37)40-13-6-11-33-10-4-5-12-39(33)40)38-26-20-35(21-27-38)41-14-7-15-43-42-28-29-46-30-44(42)48-45(41)43/h1-30H
InChIKeySZQJYYLXWQZTBN-UHFFFAOYSA-N
MW630.82 g/mol
LogP13.07
Rot. Bonds6

About N-[4-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline

N-[4-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline (PubChem CID 166861217) has the molecular formula C45H30N2S and a molecular weight of 630.82 g/mol. Its IUPAC name is N-[4-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline.

Molecular Properties

Compound NameN-[4-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
PubChem CID166861217
Molecular FormulaC45H30N2S
Molecular Weight630.82 g/mol
Exact Mass630.21
IUPAC NameN-[4-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cccc5c4sc4cnccc45)cc3)cc2)cc1
InChIInChI=1S/C45H30N2S/c1-2-8-31(9-3-1)32-16-22-36(23-17-32)47(37-24-18-34(19-25-37)40-13-6-11-33-10-4-5-12-39(33)40)38-26-20-35(21-27-38)41-14-7-15-43-42-28-29-46-30-44(42)48-45(41)43/h1-30H
InChIKeySZQJYYLXWQZTBN-UHFFFAOYSA-N
XLogP13.07
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.82
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline 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-[4-[3-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121295285
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90263900
N-benzo[c]phenanthren-5-yl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-c]pyridin-8-amine
CID 166862162
3-dibenzothiophen-4-yl-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 168766727
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-naphthalen-1-yl-3-phenylphenyl)phenyl]-4-phenylaniline
CID 164831553
N-chrysen-3-yl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-c]pyridin-8-amine
CID 166861116
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)aniline
CID 147438936
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
4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59022057
N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 167397344
N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-4-amine
CID 166861954
2,3,5,6-tetradeuterio-N-(4-dibenzothiophen-4-ylphenyl)-N,4-bis(4-naphthalen-1-ylphenyl)aniline
CID 171451625

Frequently Asked Questions

What is the IUPAC name of N-[4-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline?
The IUPAC name of N-[4-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline (CID 166861217) is N-[4-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline.
What is the SMILES notation for N-[4-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline?
The canonical SMILES for N-[4-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc(-c4cccc5c4sc4cnccc45)cc3)cc2)cc1.
What is the InChIKey of N-[4-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline?
The InChIKey is SZQJYYLXWQZTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2S/c1-2-8-31(9-3-1)32-16-22-36(23-17-32)47(37-24-18-34(19-25-37)40-13-6-11-33-10-4-5-12-39(33)40)38-26-20-35(21-27-38)41-14-7-15-43-42-28-29-46-30-44(42)48-45(41)43/h1-30H.
What are the key properties of N-[4-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline?
N-[4-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline has a molecular weight of 630.82 g/mol, XLogP of 13.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-([1]benzothiolo[2,3-c]pyridin-8-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline is sourced from PubChem (CID 166861217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).