4-(7-phenyldibenzothiophen-3-yl)pyridine-2-carbonitrile

C24H14N2S — CID 118397389

IUPAC4-(7-phenyldibenzothiophen-3-yl)pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc3c(c2)sc2cc(-c4ccccc4)ccc23)ccn1
InChIInChI=1S/C24H14N2S/c25-15-20-12-19(10-11-26-20)18-7-9-22-21-8-6-17(16-4-2-1-3-5-16)13-23(21)27-24(22)14-18/h1-14H
InChIKeyZWIPFRLKEPHZNG-UHFFFAOYSA-N
MW362.46 g/mol
LogP6.66
Rot. Bonds2

About 4-(7-phenyldibenzothiophen-3-yl)pyridine-2-carbonitrile

4-(7-phenyldibenzothiophen-3-yl)pyridine-2-carbonitrile (PubChem CID 118397389) has the molecular formula C24H14N2S and a molecular weight of 362.46 g/mol. Its IUPAC name is 4-(7-phenyldibenzothiophen-3-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(7-phenyldibenzothiophen-3-yl)pyridine-2-carbonitrile
PubChem CID118397389
Molecular FormulaC24H14N2S
Molecular Weight362.46 g/mol
Exact Mass362.09
IUPAC Name4-(7-phenyldibenzothiophen-3-yl)pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc3c(c2)sc2cc(-c4ccccc4)ccc23)ccn1
InChIInChI=1S/C24H14N2S/c25-15-20-12-19(10-11-26-20)18-7-9-22-21-8-6-17(16-4-2-1-3-5-16)13-23(21)27-24(22)14-18/h1-14H
InChIKeyZWIPFRLKEPHZNG-UHFFFAOYSA-N
XLogP6.66
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.46
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(7-phenyldibenzothiophen-3-yl)pyridine-2-carbonitrile?
The IUPAC name of 4-(7-phenyldibenzothiophen-3-yl)pyridine-2-carbonitrile (CID 118397389) is 4-(7-phenyldibenzothiophen-3-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(7-phenyldibenzothiophen-3-yl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(7-phenyldibenzothiophen-3-yl)pyridine-2-carbonitrile is N#Cc1cc(-c2ccc3c(c2)sc2cc(-c4ccccc4)ccc23)ccn1.
What is the InChIKey of 4-(7-phenyldibenzothiophen-3-yl)pyridine-2-carbonitrile?
The InChIKey is ZWIPFRLKEPHZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N2S/c25-15-20-12-19(10-11-26-20)18-7-9-22-21-8-6-17(16-4-2-1-3-5-16)13-23(21)27-24(22)14-18/h1-14H.
What are the key properties of 4-(7-phenyldibenzothiophen-3-yl)pyridine-2-carbonitrile?
4-(7-phenyldibenzothiophen-3-yl)pyridine-2-carbonitrile has a molecular weight of 362.46 g/mol, XLogP of 6.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-phenyldibenzothiophen-3-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 118397389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).