N-[3-([1]benzothiolo[2,3-c]pyridin-3-yl)phenyl]-N-phenyl-3-pyridin-2-ylaniline

C34H23N3S — CID 140881748

IUPACN-[3-([1]benzothiolo[2,3-c]pyridin-3-yl)phenyl]-N-phenyl-3-pyridin-2-ylaniline
SMILESc1ccc(N(c2cccc(-c3ccccn3)c2)c2cccc(-c3cc4c(cn3)sc3ccccc34)c2)cc1
InChIInChI=1S/C34H23N3S/c1-2-12-26(13-3-1)37(27-14-8-10-24(20-27)31-17-6-7-19-35-31)28-15-9-11-25(21-28)32-22-30-29-16-4-5-18-33(29)38-34(30)23-36-32/h1-23H
InChIKeyPOBBFDFWUNDAFB-UHFFFAOYSA-N
MW505.65 g/mol
LogP9.65
Rot. Bonds5

About N-[3-([1]benzothiolo[2,3-c]pyridin-3-yl)phenyl]-N-phenyl-3-pyridin-2-ylaniline

N-[3-([1]benzothiolo[2,3-c]pyridin-3-yl)phenyl]-N-phenyl-3-pyridin-2-ylaniline (PubChem CID 140881748) has the molecular formula C34H23N3S and a molecular weight of 505.65 g/mol. Its IUPAC name is N-[3-([1]benzothiolo[2,3-c]pyridin-3-yl)phenyl]-N-phenyl-3-pyridin-2-ylaniline.

Molecular Properties

Compound NameN-[3-([1]benzothiolo[2,3-c]pyridin-3-yl)phenyl]-N-phenyl-3-pyridin-2-ylaniline
PubChem CID140881748
Molecular FormulaC34H23N3S
Molecular Weight505.65 g/mol
Exact Mass505.16
IUPAC NameN-[3-([1]benzothiolo[2,3-c]pyridin-3-yl)phenyl]-N-phenyl-3-pyridin-2-ylaniline
SMILESc1ccc(N(c2cccc(-c3ccccn3)c2)c2cccc(-c3cc4c(cn3)sc3ccccc34)c2)cc1
InChIInChI=1S/C34H23N3S/c1-2-12-26(13-3-1)37(27-14-8-10-24(20-27)31-17-6-7-19-35-31)28-15-9-11-25(21-28)32-22-30-29-16-4-5-18-33(29)38-34(30)23-36-32/h1-23H
InChIKeyPOBBFDFWUNDAFB-UHFFFAOYSA-N
XLogP9.65
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.65
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(8-dibenzothiophen-3-yldibenzothiophen-2-yl)-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline
CID 90076240
4-[8-(3-dibenzothiophen-4-ylphenyl)dibenzothiophen-2-yl]-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline
CID 90076336
N,3,5-triphenyl-N-[3-(3-pyridin-2-ylphenyl)phenyl]aniline
CID 140587043
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 121261333
3-(8-dibenzothiophen-3-yldibenzothiophen-2-yl)-N,N-diphenylaniline
CID 90076169
4-dibenzothiophen-2-yl-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine
CID 130262859
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridin-3-amine
CID 166861757
4-([1]benzothiolo[2,3-c]pyridin-3-yl)-N,N-dimethylaniline
CID 122382956
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
N-(3-phenylphenyl)-N-triphenylen-2-yldibenzothiophen-2-amine
CID 118214718
N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 157402984

Frequently Asked Questions

What is the IUPAC name of N-[3-([1]benzothiolo[2,3-c]pyridin-3-yl)phenyl]-N-phenyl-3-pyridin-2-ylaniline?
The IUPAC name of N-[3-([1]benzothiolo[2,3-c]pyridin-3-yl)phenyl]-N-phenyl-3-pyridin-2-ylaniline (CID 140881748) is N-[3-([1]benzothiolo[2,3-c]pyridin-3-yl)phenyl]-N-phenyl-3-pyridin-2-ylaniline.
What is the SMILES notation for N-[3-([1]benzothiolo[2,3-c]pyridin-3-yl)phenyl]-N-phenyl-3-pyridin-2-ylaniline?
The canonical SMILES for N-[3-([1]benzothiolo[2,3-c]pyridin-3-yl)phenyl]-N-phenyl-3-pyridin-2-ylaniline is c1ccc(N(c2cccc(-c3ccccn3)c2)c2cccc(-c3cc4c(cn3)sc3ccccc34)c2)cc1.
What is the InChIKey of N-[3-([1]benzothiolo[2,3-c]pyridin-3-yl)phenyl]-N-phenyl-3-pyridin-2-ylaniline?
The InChIKey is POBBFDFWUNDAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N3S/c1-2-12-26(13-3-1)37(27-14-8-10-24(20-27)31-17-6-7-19-35-31)28-15-9-11-25(21-28)32-22-30-29-16-4-5-18-33(29)38-34(30)23-36-32/h1-23H.
What are the key properties of N-[3-([1]benzothiolo[2,3-c]pyridin-3-yl)phenyl]-N-phenyl-3-pyridin-2-ylaniline?
N-[3-([1]benzothiolo[2,3-c]pyridin-3-yl)phenyl]-N-phenyl-3-pyridin-2-ylaniline has a molecular weight of 505.65 g/mol, XLogP of 9.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-([1]benzothiolo[2,3-c]pyridin-3-yl)phenyl]-N-phenyl-3-pyridin-2-ylaniline is sourced from PubChem (CID 140881748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).