1,3,4,7-tetraphenylthieno[3,4-c]pyridine-6-carbonitrile

C32H20N2S — CID 13154154

IUPAC1,3,4,7-tetraphenylthieno[3,4-c]pyridine-6-carbonitrile
SMILESN#Cc1nc(-c2ccccc2)c2c(-c3ccccc3)sc(-c3ccccc3)c2c1-c1ccccc1
InChIInChI=1S/C32H20N2S/c33-21-26-27(22-13-5-1-6-14-22)28-29(30(34-26)23-15-7-2-8-16-23)32(25-19-11-4-12-20-25)35-31(28)24-17-9-3-10-18-24/h1-20H
InChIKeyFWKYRNMVTLHWND-UHFFFAOYSA-N
MW464.59 g/mol
LogP8.84
Rot. Bonds4

About 1,3,4,7-tetraphenylthieno[3,4-c]pyridine-6-carbonitrile

1,3,4,7-tetraphenylthieno[3,4-c]pyridine-6-carbonitrile (PubChem CID 13154154) has the molecular formula C32H20N2S and a molecular weight of 464.59 g/mol. Its IUPAC name is 1,3,4,7-tetraphenylthieno[3,4-c]pyridine-6-carbonitrile.

Molecular Properties

Compound Name1,3,4,7-tetraphenylthieno[3,4-c]pyridine-6-carbonitrile
PubChem CID13154154
Molecular FormulaC32H20N2S
Molecular Weight464.59 g/mol
Exact Mass464.13
IUPAC Name1,3,4,7-tetraphenylthieno[3,4-c]pyridine-6-carbonitrile
SMILESN#Cc1nc(-c2ccccc2)c2c(-c3ccccc3)sc(-c3ccccc3)c2c1-c1ccccc1
InChIInChI=1S/C32H20N2S/c33-21-26-27(22-13-5-1-6-14-22)28-29(30(34-26)23-15-7-2-8-16-23)32(25-19-11-4-12-20-25)35-31(28)24-17-9-3-10-18-24/h1-20H
InChIKeyFWKYRNMVTLHWND-UHFFFAOYSA-N
XLogP8.84
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.59
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5,6-triphenylpyrazine-2-carbonitrile
CID 134914114
2-[3-[3-(6-cyano-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridin-2-yl)phenyl]phenyl]-1,3,4,7-tetraphenylpyrrolo[3,4-c]pyridine-6-carbonitrile
CID 148945322
4,7-diphenyl-2H-triazolo[4,5-c]pyridine-6-carbonitrile
CID 13077761
16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10,11-tetracarbonitrile
CID 71131770
3,6-bis[4-(N-phenylanilino)phenyl]pyrazine-2,5-dicarbonitrile
CID 140915776
2,4,7-triphenylpyrazolo[4,3-c]pyridine-6-carbonitrile
CID 13016006
3-isocyano-5,6-diphenylpyrazine-2-carbonitrile
CID 140658534
4,6-diamino-3-phenylpyridine-2,5-dicarbonitrile
CID 91973425
4-[4-[4-(2,5,6-triphenylpyrimidin-4-yl)phenyl]phenyl]benzonitrile
CID 139525696
3-amino-5-methyl-6-phenylpyrazine-2-carbonitrile
CID 20567061
5-(ethylamino)-6-phenylpyrazine-2,3-dicarbonitrile
CID 13336955
1,3-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]thieno[3,4-c]quinoline
CID 164716098

Frequently Asked Questions

What is the IUPAC name of 1,3,4,7-tetraphenylthieno[3,4-c]pyridine-6-carbonitrile?
The IUPAC name of 1,3,4,7-tetraphenylthieno[3,4-c]pyridine-6-carbonitrile (CID 13154154) is 1,3,4,7-tetraphenylthieno[3,4-c]pyridine-6-carbonitrile.
What is the SMILES notation for 1,3,4,7-tetraphenylthieno[3,4-c]pyridine-6-carbonitrile?
The canonical SMILES for 1,3,4,7-tetraphenylthieno[3,4-c]pyridine-6-carbonitrile is N#Cc1nc(-c2ccccc2)c2c(-c3ccccc3)sc(-c3ccccc3)c2c1-c1ccccc1.
What is the InChIKey of 1,3,4,7-tetraphenylthieno[3,4-c]pyridine-6-carbonitrile?
The InChIKey is FWKYRNMVTLHWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2S/c33-21-26-27(22-13-5-1-6-14-22)28-29(30(34-26)23-15-7-2-8-16-23)32(25-19-11-4-12-20-25)35-31(28)24-17-9-3-10-18-24/h1-20H.
What are the key properties of 1,3,4,7-tetraphenylthieno[3,4-c]pyridine-6-carbonitrile?
1,3,4,7-tetraphenylthieno[3,4-c]pyridine-6-carbonitrile has a molecular weight of 464.59 g/mol, XLogP of 8.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,7-tetraphenylthieno[3,4-c]pyridine-6-carbonitrile is sourced from PubChem (CID 13154154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).