N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine

C35H24N2S — CID 166860696

IUPACN,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5ncccc5c4c3)cc2)cc1
InChIInChI=1S/C35H24N2S/c1-3-8-25(9-4-1)27-13-17-29(18-14-27)37(30-19-15-28(16-20-30)26-10-5-2-6-11-26)31-21-22-34-33(24-31)32-12-7-23-36-35(32)38-34/h1-24H
InChIKeyYMTPMZHDGGXTGH-UHFFFAOYSA-N
MW504.66 g/mol
LogP10.25
Rot. Bonds5

About N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine

N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine (PubChem CID 166860696) has the molecular formula C35H24N2S and a molecular weight of 504.66 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound NameN,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine
PubChem CID166860696
Molecular FormulaC35H24N2S
Molecular Weight504.66 g/mol
Exact Mass504.17
IUPAC NameN,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5ncccc5c4c3)cc2)cc1
InChIInChI=1S/C35H24N2S/c1-3-8-25(9-4-1)27-13-17-29(18-14-27)37(30-19-15-28(16-20-30)26-10-5-2-6-11-26)31-21-22-34-33(24-31)32-12-7-23-36-35(32)38-34/h1-24H
InChIKeyYMTPMZHDGGXTGH-UHFFFAOYSA-N
XLogP10.25
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.66
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine
CID 168737841
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-7-amine
CID 168737775
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[3,2-c]pyridin-8-amine
CID 166860748
N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139552059
N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-c]pyridin-6-amine
CID 166860561
N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 157402984
6-[3-[3-[3-[3-[8-([1]benzothiolo[2,3-b]pyridin-6-yl)dibenzothiophen-2-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-b]pyridine
CID 90250519
N,N-bis(4-pyridin-4-ylphenyl)dibenzothiophen-2-amine
CID 169061390
N-[4-[4-[3-([1]benzothiolo[2,3-b]pyridin-8-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline
CID 121295292
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90350992
N-[3-(8-phenyldibenzothiophen-2-yl)phenyl]-N-(4-phenylphenyl)triphenylen-2-amine
CID 121296596

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine?
The IUPAC name of N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine (CID 166860696) is N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine?
The canonical SMILES for N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4sc5ncccc5c4c3)cc2)cc1.
What is the InChIKey of N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine?
The InChIKey is YMTPMZHDGGXTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N2S/c1-3-8-25(9-4-1)27-13-17-29(18-14-27)37(30-19-15-28(16-20-30)26-10-5-2-6-11-26)31-21-22-34-33(24-31)32-12-7-23-36-35(32)38-34/h1-24H.
What are the key properties of N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine?
N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine has a molecular weight of 504.66 g/mol, XLogP of 10.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 166860696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).