N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-9-amine

C39H26N2S — CID 168737860

IUPACN-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4sc5ccncc5c34)cc2)cc1
InChIInChI=1S/C39H26N2S/c1-2-7-27(8-3-1)29-15-19-33(20-16-29)41(36-11-6-12-38-39(36)35-26-40-24-23-37(35)42-38)34-21-17-30(18-22-34)32-14-13-28-9-4-5-10-31(28)25-32/h1-26H
InChIKeyUKEXXIMYBRSMLR-UHFFFAOYSA-N
MW554.72 g/mol
LogP11.41
Rot. Bonds5

About N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-9-amine

N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-9-amine (PubChem CID 168737860) has the molecular formula C39H26N2S and a molecular weight of 554.72 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-9-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-9-amine
PubChem CID168737860
Molecular FormulaC39H26N2S
Molecular Weight554.72 g/mol
Exact Mass554.18
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4sc5ccncc5c34)cc2)cc1
InChIInChI=1S/C39H26N2S/c1-2-7-27(8-3-1)29-15-19-33(20-16-29)41(36-11-6-12-38-39(36)35-26-40-24-23-37(35)42-38)34-21-17-30(18-22-34)32-14-13-28-9-4-5-10-31(28)25-32/h1-26H
InChIKeyUKEXXIMYBRSMLR-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

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Related Compounds

N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-9-amine
CID 166861610
N-phenanthren-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-9-amine
CID 163908714
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-8-amine
CID 163856716
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167324059
N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 174256379
N-phenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzothiophen-1-amine
CID 174255832
N-[3-[3-[dibenzothiophen-1-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzothiol-1-amine
CID 167086502
N-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzothiophen-1-amine
CID 167324324
N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 170039057
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-5-amine
CID 166860583
N-dibenzothiophen-1-yl-9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 166055346
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-1-amine
CID 166861768

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-9-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-9-amine (CID 168737860) is N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-9-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-9-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-9-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4sc5ccncc5c34)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-9-amine?
The InChIKey is UKEXXIMYBRSMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N2S/c1-2-7-27(8-3-1)29-15-19-33(20-16-29)41(36-11-6-12-38-39(36)35-26-40-24-23-37(35)42-38)34-21-17-30(18-22-34)32-14-13-28-9-4-5-10-31(28)25-32/h1-26H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-9-amine?
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-9-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-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-9-amine is sourced from PubChem (CID 168737860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).