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

C35H24N2S — CID 166860562

IUPACN,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-c]pyridin-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3nccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C35H24N2S/c1-3-9-25(10-4-1)27-15-19-29(20-16-27)37(30-21-17-28(18-22-30)26-11-5-2-6-12-26)35-34-32(23-24-36-35)31-13-7-8-14-33(31)38-34/h1-24H
InChIKeyQZRGKFVLWBVPPA-UHFFFAOYSA-N
MW504.66 g/mol
LogP10.25
Rot. Bonds5

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

N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-c]pyridin-1-amine (PubChem CID 166860562) 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-c]pyridin-1-amine.

Molecular Properties

Compound NameN,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-c]pyridin-1-amine
PubChem CID166860562
Molecular FormulaC35H24N2S
Molecular Weight504.66 g/mol
Exact Mass504.17
IUPAC NameN,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-c]pyridin-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3nccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C35H24N2S/c1-3-9-25(10-4-1)27-15-19-29(20-16-27)37(30-21-17-28(18-22-30)26-11-5-2-6-12-26)35-34-32(23-24-36-35)31-13-7-8-14-33(31)38-34/h1-24H
InChIKeyQZRGKFVLWBVPPA-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-chrysen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-c]pyridin-1-amine
CID 166862238
N,N-bis(4-phenanthren-9-ylphenyl)-[1]benzothiolo[2,3-c]pyridin-1-amine
CID 163626318
N-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 90350977
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90263900
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[3,2-c]pyridin-1-amine
CID 166861768
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-[4-(N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine
CID 147452405
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118405906
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261291
N-dibenzothiophen-4-yl-N-(4-pyridin-4-ylphenyl)dibenzothiophen-4-amine
CID 169061493

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-c]pyridin-1-amine?
The IUPAC name of N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-c]pyridin-1-amine (CID 166860562) is N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-c]pyridin-1-amine.
What is the SMILES notation for N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-c]pyridin-1-amine?
The canonical SMILES for N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-c]pyridin-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3nccc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-c]pyridin-1-amine?
The InChIKey is QZRGKFVLWBVPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N2S/c1-3-9-25(10-4-1)27-15-19-29(20-16-27)37(30-21-17-28(18-22-30)26-11-5-2-6-12-26)35-34-32(23-24-36-35)31-13-7-8-14-33(31)38-34/h1-24H.
What are the key properties of N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-c]pyridin-1-amine?
N,N-bis(4-phenylphenyl)-[1]benzothiolo[2,3-c]pyridin-1-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-c]pyridin-1-amine is sourced from PubChem (CID 166860562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).