5-(6-dibenzothiophen-3-yl-2-pyridinyl)pyridine-3-carbonitrile

C23H13N3S — CID 118397385

IUPAC5-(6-dibenzothiophen-3-yl-2-pyridinyl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccc(-c3ccc4c(c3)sc3ccccc34)n2)c1
InChIInChI=1S/C23H13N3S/c24-12-15-10-17(14-25-13-15)21-6-3-5-20(26-21)16-8-9-19-18-4-1-2-7-22(18)27-23(19)11-16/h1-11,13-14H
InChIKeyLQEOTFKAURNIRN-UHFFFAOYSA-N
MW363.45 g/mol
LogP6.05
Rot. Bonds2

About 5-(6-dibenzothiophen-3-yl-2-pyridinyl)pyridine-3-carbonitrile

5-(6-dibenzothiophen-3-yl-2-pyridinyl)pyridine-3-carbonitrile (PubChem CID 118397385) has the molecular formula C23H13N3S and a molecular weight of 363.45 g/mol. Its IUPAC name is 5-(6-dibenzothiophen-3-yl-2-pyridinyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(6-dibenzothiophen-3-yl-2-pyridinyl)pyridine-3-carbonitrile
PubChem CID118397385
Molecular FormulaC23H13N3S
Molecular Weight363.45 g/mol
Exact Mass363.08
IUPAC Name5-(6-dibenzothiophen-3-yl-2-pyridinyl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccc(-c3ccc4c(c3)sc3ccccc34)n2)c1
InChIInChI=1S/C23H13N3S/c24-12-15-10-17(14-25-13-15)21-6-3-5-20(26-21)16-8-9-19-18-4-1-2-7-22(18)27-23(19)11-16/h1-11,13-14H
InChIKeyLQEOTFKAURNIRN-UHFFFAOYSA-N
XLogP6.05
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.45
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[6-(7-phenyldibenzothiophen-3-yl)-2-pyridinyl]pyridine-3-carbonitrile
CID 118397898
5-[6-[8-[6-(5-cyano-3-pyridinyl)-2-pyridinyl]dibenzothiophen-2-yl]-2-pyridinyl]pyridine-3-carbonitrile
CID 118397758
2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-carbonitrile;4-(6-dibenzothiophen-2-yl-2-pyridinyl)pyridine-2-carbonitrile;5-(6-dibenzothiophen-2-yl-2-pyridinyl)pyridine-3-carbonitrile;2-(8-phenyldibenzothiophen-2-yl)pyridine-4-carbonitrile
CID 162201404
5-[6-(7,9-diphenylcarbazol-2-yl)-2-pyridinyl]pyridine-3-carbonitrile
CID 118397427
5-[4-(8-phenyldibenzothiophen-2-yl)phenyl]pyridine-3-carbonitrile
CID 118397183
5-[6-[7-[6-(5-cyano-3-pyridinyl)-2-pyridinyl]-9,9-diphenylfluoren-2-yl]-2-pyridinyl]pyridine-3-carbonitrile
CID 118397708
4-[6-[7-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]dibenzothiophen-3-yl]-2-pyridinyl]pyridine-2-carbonitrile
CID 118397775
5-(6-fluoro-2-pyridinyl)pyridine-3-carbonitrile
CID 71303551
5-[6-[10-[6-(5-isocyano-3-pyridinyl)-2-pyridinyl]anthracen-9-yl]-2-pyridinyl]pyridine-3-carbonitrile
CID 140769287
4-dibenzothiophen-3-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 155603267
5-[6-[4-[6-(5-isocyano-3-pyridinyl)-2-pyridinyl]naphthalen-1-yl]-2-pyridinyl]pyridine-3-carbonitrile
CID 140769229
3-[2,6-di(dibenzothiophen-3-yl)phenyl]benzonitrile
CID 146354885

Frequently Asked Questions

What is the IUPAC name of 5-(6-dibenzothiophen-3-yl-2-pyridinyl)pyridine-3-carbonitrile?
The IUPAC name of 5-(6-dibenzothiophen-3-yl-2-pyridinyl)pyridine-3-carbonitrile (CID 118397385) is 5-(6-dibenzothiophen-3-yl-2-pyridinyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(6-dibenzothiophen-3-yl-2-pyridinyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(6-dibenzothiophen-3-yl-2-pyridinyl)pyridine-3-carbonitrile is N#Cc1cncc(-c2cccc(-c3ccc4c(c3)sc3ccccc34)n2)c1.
What is the InChIKey of 5-(6-dibenzothiophen-3-yl-2-pyridinyl)pyridine-3-carbonitrile?
The InChIKey is LQEOTFKAURNIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13N3S/c24-12-15-10-17(14-25-13-15)21-6-3-5-20(26-21)16-8-9-19-18-4-1-2-7-22(18)27-23(19)11-16/h1-11,13-14H.
What are the key properties of 5-(6-dibenzothiophen-3-yl-2-pyridinyl)pyridine-3-carbonitrile?
5-(6-dibenzothiophen-3-yl-2-pyridinyl)pyridine-3-carbonitrile has a molecular weight of 363.45 g/mol, XLogP of 6.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-dibenzothiophen-3-yl-2-pyridinyl)pyridine-3-carbonitrile is sourced from PubChem (CID 118397385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).