2-phenyl-1H-indole-5-carbonitrile

C15H10N2 — CID 10846478

IUPAC2-phenyl-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]c(-c3ccccc3)cc2c1
InChIInChI=1S/C15H10N2/c16-10-11-6-7-14-13(8-11)9-15(17-14)12-4-2-1-3-5-12/h1-9,17H
InChIKeyIYFJGCSGRAMZRA-UHFFFAOYSA-N
MW218.26 g/mol
LogP3.71
Rot. Bonds1

About 2-phenyl-1H-indole-5-carbonitrile

2-phenyl-1H-indole-5-carbonitrile (PubChem CID 10846478) has the molecular formula C15H10N2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-phenyl-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name2-phenyl-1H-indole-5-carbonitrile
PubChem CID10846478
Molecular FormulaC15H10N2
Molecular Weight218.26 g/mol
Exact Mass218.08
IUPAC Name2-phenyl-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]c(-c3ccccc3)cc2c1
InChIInChI=1S/C15H10N2/c16-10-11-6-7-14-13(8-11)9-15(17-14)12-4-2-1-3-5-12/h1-9,17H
InChIKeyIYFJGCSGRAMZRA-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 2-phenyl-1H-indole-5-carbonitrile?
The IUPAC name of 2-phenyl-1H-indole-5-carbonitrile (CID 10846478) is 2-phenyl-1H-indole-5-carbonitrile.
What is the SMILES notation for 2-phenyl-1H-indole-5-carbonitrile?
The canonical SMILES for 2-phenyl-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]c(-c3ccccc3)cc2c1.
What is the InChIKey of 2-phenyl-1H-indole-5-carbonitrile?
The InChIKey is IYFJGCSGRAMZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2/c16-10-11-6-7-14-13(8-11)9-15(17-14)12-4-2-1-3-5-12/h1-9,17H.
What are the key properties of 2-phenyl-1H-indole-5-carbonitrile?
2-phenyl-1H-indole-5-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 2-phenyl-1H-indole-5-carbonitrile is sourced from PubChem (CID 10846478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).