4-phenyl-1H-indole-3-carbonitrile

C15H10N2 — CID 58437496

IUPAC4-phenyl-1H-indole-3-carbonitrile
SMILESN#Cc1c[nH]c2cccc(-c3ccccc3)c12
InChIInChI=1S/C15H10N2/c16-9-12-10-17-14-8-4-7-13(15(12)14)11-5-2-1-3-6-11/h1-8,10,17H
InChIKeyAIBBNAQYERENPO-UHFFFAOYSA-N
MW218.26 g/mol
LogP3.71
Rot. Bonds1

About 4-phenyl-1H-indole-3-carbonitrile

4-phenyl-1H-indole-3-carbonitrile (PubChem CID 58437496) has the molecular formula C15H10N2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-phenyl-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name4-phenyl-1H-indole-3-carbonitrile
PubChem CID58437496
Molecular FormulaC15H10N2
Molecular Weight218.26 g/mol
Exact Mass218.08
IUPAC Name4-phenyl-1H-indole-3-carbonitrile
SMILESN#Cc1c[nH]c2cccc(-c3ccccc3)c12
InChIInChI=1S/C15H10N2/c16-9-12-10-17-14-8-4-7-13(15(12)14)11-5-2-1-3-6-11/h1-8,10,17H
InChIKeyAIBBNAQYERENPO-UHFFFAOYSA-N
XLogP3.71
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1H-indole-3-carbonitrile?
The IUPAC name of 4-phenyl-1H-indole-3-carbonitrile (CID 58437496) is 4-phenyl-1H-indole-3-carbonitrile.
What is the SMILES notation for 4-phenyl-1H-indole-3-carbonitrile?
The canonical SMILES for 4-phenyl-1H-indole-3-carbonitrile is N#Cc1c[nH]c2cccc(-c3ccccc3)c12.
What is the InChIKey of 4-phenyl-1H-indole-3-carbonitrile?
The InChIKey is AIBBNAQYERENPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2/c16-9-12-10-17-14-8-4-7-13(15(12)14)11-5-2-1-3-6-11/h1-8,10,17H.
What are the key properties of 4-phenyl-1H-indole-3-carbonitrile?
4-phenyl-1H-indole-3-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1H-indole-3-carbonitrile is sourced from PubChem (CID 58437496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).