4-[4-(7-phenyldibenzothiophen-3-yl)phenyl]pyridine-2-carbonitrile

C30H18N2S — CID 118397870

IUPAC4-[4-(7-phenyldibenzothiophen-3-yl)phenyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(-c3ccc4c(c3)sc3cc(-c5ccccc5)ccc34)cc2)ccn1
InChIInChI=1S/C30H18N2S/c31-19-26-16-25(14-15-32-26)22-8-6-21(7-9-22)24-11-13-28-27-12-10-23(20-4-2-1-3-5-20)17-29(27)33-30(28)18-24/h1-18H
InChIKeyUILRGHVYODPGHG-UHFFFAOYSA-N
MW438.56 g/mol
LogP8.32
Rot. Bonds3

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

4-[4-(7-phenyldibenzothiophen-3-yl)phenyl]pyridine-2-carbonitrile (PubChem CID 118397870) has the molecular formula C30H18N2S and a molecular weight of 438.56 g/mol. Its IUPAC name is 4-[4-(7-phenyldibenzothiophen-3-yl)phenyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[4-(7-phenyldibenzothiophen-3-yl)phenyl]pyridine-2-carbonitrile
PubChem CID118397870
Molecular FormulaC30H18N2S
Molecular Weight438.56 g/mol
Exact Mass438.12
IUPAC Name4-[4-(7-phenyldibenzothiophen-3-yl)phenyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(-c3ccc4c(c3)sc3cc(-c5ccccc5)ccc34)cc2)ccn1
InChIInChI=1S/C30H18N2S/c31-19-26-16-25(14-15-32-26)22-8-6-21(7-9-22)24-11-13-28-27-12-10-23(20-4-2-1-3-5-20)17-29(27)33-30(28)18-24/h1-18H
InChIKeyUILRGHVYODPGHG-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

4-(7-phenyldibenzothiophen-3-yl)pyridine-2-carbonitrile
CID 118397389
4-[6-[7-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]dibenzothiophen-3-yl]-2-pyridinyl]pyridine-2-carbonitrile
CID 118397775
4-(8-phenyldibenzofuran-2-yl)pyridine-2-carbonitrile
CID 118397912
4-phenyl-2-(7-phenyldibenzothiophen-2-yl)pyridine
CID 166574154
4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]pyridine-2-carbonitrile
CID 118398135
4-[3-(6,9-diphenylcarbazol-3-yl)phenyl]pyridine-2-carbonitrile
CID 118397406
4-[4-[4,6-bis[4-(2-cyano-4-pyridinyl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyridine-2-carbonitrile
CID 118397929
4-methyl-2-(7-phenyldibenzothiophen-3-yl)pyridine
CID 166575205
4-[4-(3-carbazol-9-ylphenyl)phenyl]pyridine-2-carbonitrile
CID 146543438
2,4-diphenyl-6-[7-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 169059274
2,4-diphenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 154624619
4-[10-[10-(2-cyano-4-pyridinyl)anthracen-9-yl]anthracen-9-yl]pyridine-2-carbonitrile
CID 118397821

Frequently Asked Questions

What is the IUPAC name of 4-[4-(7-phenyldibenzothiophen-3-yl)phenyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[4-(7-phenyldibenzothiophen-3-yl)phenyl]pyridine-2-carbonitrile (CID 118397870) is 4-[4-(7-phenyldibenzothiophen-3-yl)phenyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[4-(7-phenyldibenzothiophen-3-yl)phenyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[4-(7-phenyldibenzothiophen-3-yl)phenyl]pyridine-2-carbonitrile is N#Cc1cc(-c2ccc(-c3ccc4c(c3)sc3cc(-c5ccccc5)ccc34)cc2)ccn1.
What is the InChIKey of 4-[4-(7-phenyldibenzothiophen-3-yl)phenyl]pyridine-2-carbonitrile?
The InChIKey is UILRGHVYODPGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N2S/c31-19-26-16-25(14-15-32-26)22-8-6-21(7-9-22)24-11-13-28-27-12-10-23(20-4-2-1-3-5-20)17-29(27)33-30(28)18-24/h1-18H.
What are the key properties of 4-[4-(7-phenyldibenzothiophen-3-yl)phenyl]pyridine-2-carbonitrile?
4-[4-(7-phenyldibenzothiophen-3-yl)phenyl]pyridine-2-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 4-[4-(7-phenyldibenzothiophen-3-yl)phenyl]pyridine-2-carbonitrile is sourced from PubChem (CID 118397870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).