5-[4-(8-phenyldibenzothiophen-2-yl)phenyl]pyridine-3-carbonitrile

C30H18N2S — CID 118397183

IUPAC5-[4-(8-phenyldibenzothiophen-2-yl)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2ccc(-c3ccc4sc5ccc(-c6ccccc6)cc5c4c3)cc2)c1
InChIInChI=1S/C30H18N2S/c31-17-20-14-26(19-32-18-20)23-8-6-22(7-9-23)25-11-13-30-28(16-25)27-15-24(10-12-29(27)33-30)21-4-2-1-3-5-21/h1-16,18-19H
InChIKeySJNKOVVHFMFJQA-UHFFFAOYSA-N
MW438.56 g/mol
LogP8.32
Rot. Bonds3

About 5-[4-(8-phenyldibenzothiophen-2-yl)phenyl]pyridine-3-carbonitrile

5-[4-(8-phenyldibenzothiophen-2-yl)phenyl]pyridine-3-carbonitrile (PubChem CID 118397183) has the molecular formula C30H18N2S and a molecular weight of 438.56 g/mol. Its IUPAC name is 5-[4-(8-phenyldibenzothiophen-2-yl)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[4-(8-phenyldibenzothiophen-2-yl)phenyl]pyridine-3-carbonitrile
PubChem CID118397183
Molecular FormulaC30H18N2S
Molecular Weight438.56 g/mol
Exact Mass438.12
IUPAC Name5-[4-(8-phenyldibenzothiophen-2-yl)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2ccc(-c3ccc4sc5ccc(-c6ccccc6)cc5c4c3)cc2)c1
InChIInChI=1S/C30H18N2S/c31-17-20-14-26(19-32-18-20)23-8-6-22(7-9-23)25-11-13-30-28(16-25)27-15-24(10-12-29(27)33-30)21-4-2-1-3-5-21/h1-16,18-19H
InChIKeySJNKOVVHFMFJQA-UHFFFAOYSA-N
XLogP8.32
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.56
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-[8-[3-(5-isocyano-3-pyridinyl)phenyl]dibenzothiophen-2-yl]phenyl]pyridine-3-carbonitrile
CID 140769085
5-[6-[8-[6-(5-cyano-3-pyridinyl)-2-pyridinyl]dibenzothiophen-2-yl]-2-pyridinyl]pyridine-3-carbonitrile
CID 118397758
5-[4-[11-[4-(5-cyano-3-pyridinyl)phenyl]triphenylen-2-yl]phenyl]pyridine-3-carbonitrile
CID 126542126
5-[6-(7-phenyldibenzothiophen-3-yl)-2-pyridinyl]pyridine-3-carbonitrile
CID 118397898
3-[2,5-di(dibenzothiophen-2-yl)phenyl]-5-phenylbenzonitrile
CID 146354226
5-[4-[7-[4-(5-isocyano-3-pyridinyl)phenyl]dibenzothiophen-3-yl]phenyl]pyridine-3-carbonitrile
CID 140769091
5-(6-dibenzothiophen-3-yl-2-pyridinyl)pyridine-3-carbonitrile
CID 118397385
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
4-[6-(4-dibenzothiophen-2-ylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]benzonitrile
CID 130262033
8-[3-(8-cyanodibenzothiophen-2-yl)-5-(2-cyano-4-phenylphenyl)phenyl]dibenzothiophene-2-carbonitrile
CID 146354019
4-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]benzonitrile
CID 130263265
3-(5-dibenzothiophen-2-yl-2-dibenzothiophen-3-ylphenyl)-5-phenylbenzonitrile
CID 146354841

Frequently Asked Questions

What is the IUPAC name of 5-[4-(8-phenyldibenzothiophen-2-yl)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 5-[4-(8-phenyldibenzothiophen-2-yl)phenyl]pyridine-3-carbonitrile (CID 118397183) is 5-[4-(8-phenyldibenzothiophen-2-yl)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[4-(8-phenyldibenzothiophen-2-yl)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[4-(8-phenyldibenzothiophen-2-yl)phenyl]pyridine-3-carbonitrile is N#Cc1cncc(-c2ccc(-c3ccc4sc5ccc(-c6ccccc6)cc5c4c3)cc2)c1.
What is the InChIKey of 5-[4-(8-phenyldibenzothiophen-2-yl)phenyl]pyridine-3-carbonitrile?
The InChIKey is SJNKOVVHFMFJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N2S/c31-17-20-14-26(19-32-18-20)23-8-6-22(7-9-23)25-11-13-30-28(16-25)27-15-24(10-12-29(27)33-30)21-4-2-1-3-5-21/h1-16,18-19H.
What are the key properties of 5-[4-(8-phenyldibenzothiophen-2-yl)phenyl]pyridine-3-carbonitrile?
5-[4-(8-phenyldibenzothiophen-2-yl)phenyl]pyridine-3-carbonitrile has a molecular weight of 438.56 g/mol, XLogP of 8.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(8-phenyldibenzothiophen-2-yl)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 118397183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).