4-(4-chlorophenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile

C28H17ClN4 — CID 171396100

IUPAC4-(4-chlorophenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)cc2)cc(-c2c[nH]c3ccccc23)nc1-c1c[nH]c2ccccc12
InChIInChI=1S/C28H17ClN4/c29-18-11-9-17(10-12-18)21-13-27(23-15-31-25-7-3-1-5-19(23)25)33-28(22(21)14-30)24-16-32-26-8-4-2-6-20(24)26/h1-13,15-16,31-32H
InChIKeyOPJICSFBUFJPOM-UHFFFAOYSA-N
MW444.93 g/mol
LogP7.57
Rot. Bonds3

About 4-(4-chlorophenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile

4-(4-chlorophenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile (PubChem CID 171396100) has the molecular formula C28H17ClN4 and a molecular weight of 444.93 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile
PubChem CID171396100
Molecular FormulaC28H17ClN4
Molecular Weight444.93 g/mol
Exact Mass444.11
IUPAC Name4-(4-chlorophenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)cc2)cc(-c2c[nH]c3ccccc23)nc1-c1c[nH]c2ccccc12
InChIInChI=1S/C28H17ClN4/c29-18-11-9-17(10-12-18)21-13-27(23-15-31-25-7-3-1-5-19(23)25)33-28(22(21)14-30)24-16-32-26-8-4-2-6-20(24)26/h1-13,15-16,31-32H
InChIKeyOPJICSFBUFJPOM-UHFFFAOYSA-N
XLogP7.57
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.93
LogP ≤ 57.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile?
The IUPAC name of 4-(4-chlorophenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile (CID 171396100) is 4-(4-chlorophenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-chlorophenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-chlorophenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile is N#Cc1c(-c2ccc(Cl)cc2)cc(-c2c[nH]c3ccccc23)nc1-c1c[nH]c2ccccc12.
What is the InChIKey of 4-(4-chlorophenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile?
The InChIKey is OPJICSFBUFJPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17ClN4/c29-18-11-9-17(10-12-18)21-13-27(23-15-31-25-7-3-1-5-19(23)25)33-28(22(21)14-30)24-16-32-26-8-4-2-6-20(24)26/h1-13,15-16,31-32H.
What are the key properties of 4-(4-chlorophenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile?
4-(4-chlorophenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile has a molecular weight of 444.93 g/mol, XLogP of 7.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2,6-bis(1H-indol-3-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 171396100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).