2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-carbonitrile

C23H13N3S — CID 118397435

IUPAC2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2ccc(-c3ccc4sc5ccccc5c4c3)cn2)c1
InChIInChI=1S/C23H13N3S/c24-13-15-9-10-25-21(11-15)20-7-5-17(14-26-20)16-6-8-23-19(12-16)18-3-1-2-4-22(18)27-23/h1-12,14H
InChIKeyYGLSYCPRHGBCSH-UHFFFAOYSA-N
MW363.45 g/mol
LogP6.05
Rot. Bonds2

About 2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-carbonitrile

2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-carbonitrile (PubChem CID 118397435) has the molecular formula C23H13N3S and a molecular weight of 363.45 g/mol. Its IUPAC name is 2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-carbonitrile
PubChem CID118397435
Molecular FormulaC23H13N3S
Molecular Weight363.45 g/mol
Exact Mass363.08
IUPAC Name2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2ccc(-c3ccc4sc5ccccc5c4c3)cn2)c1
InChIInChI=1S/C23H13N3S/c24-13-15-9-10-25-21(11-15)20-7-5-17(14-26-20)16-6-8-23-19(12-16)18-3-1-2-4-22(18)27-23/h1-12,14H
InChIKeyYGLSYCPRHGBCSH-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

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
2-[5-[3,5-bis[6-(4-cyano-2-pyridinyl)-3-pyridinyl]phenyl]-2-pyridinyl]pyridine-4-carbonitrile
CID 118397873
2-[5-[9-[6-(4-cyano-2-pyridinyl)-3-pyridinyl]benzo[b]triphenylen-14-yl]-2-pyridinyl]pyridine-4-carbonitrile
CID 126542247
5-dibenzothiophen-2-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 153187941
2-[5-[11-[6-(4-cyano-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-1,2-dihydropyridin-2-yl]pyridine-4-carbonitrile
CID 144925313
2-(5-pyren-2-yl-2-pyridinyl)pyridine-4-carbonitrile
CID 118397170
4-[6-(4-dibenzothiophen-2-ylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]benzonitrile
CID 130262033
3-[2,5-di(dibenzothiophen-2-yl)phenyl]benzonitrile
CID 146355551
2-[5-(5,7,7-triphenylbenzo[g]fluoren-9-yl)-2-pyridinyl]pyridine-4-carbonitrile
CID 118397955
2-phenyl-4-(4-phenylphenyl)-6-[8-(6-pyridin-2-yl-3-pyridinyl)dibenzothiophen-2-yl]-1,3,5-triazine
CID 134380771
2-dibenzothiophen-2-yl-5-[6-(4-fluorophenyl)naphthalen-2-yl]pyridine
CID 169293943
4-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]benzonitrile
CID 130263265

Frequently Asked Questions

What is the IUPAC name of 2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-carbonitrile?
The IUPAC name of 2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-carbonitrile (CID 118397435) is 2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-carbonitrile is N#Cc1ccnc(-c2ccc(-c3ccc4sc5ccccc5c4c3)cn2)c1.
What is the InChIKey of 2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-carbonitrile?
The InChIKey is YGLSYCPRHGBCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13N3S/c24-13-15-9-10-25-21(11-15)20-7-5-17(14-26-20)16-6-8-23-19(12-16)18-3-1-2-4-22(18)27-23/h1-12,14H.
What are the key properties of 2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-carbonitrile?
2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-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 2-(5-dibenzothiophen-2-yl-2-pyridinyl)pyridine-4-carbonitrile is sourced from PubChem (CID 118397435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).