2-[5-(6-cyano-1H-indol-2-yl)furan-2-yl]-1H-indole-6-carbonitrile

C22H12N4O — CID 89486982

IUPAC2-[5-(6-cyano-1H-indol-2-yl)furan-2-yl]-1H-indole-6-carbonitrile
SMILESN#Cc1ccc2cc(-c3ccc(-c4cc5ccc(C#N)cc5[nH]4)o3)[nH]c2c1
InChIInChI=1S/C22H12N4O/c23-11-13-1-3-15-9-19(25-17(15)7-13)21-5-6-22(27-21)20-10-16-4-2-14(12-24)8-18(16)26-20/h1-10,25-26H
InChIKeyDFWCIOZVQPKYIQ-UHFFFAOYSA-N
MW348.37 g/mol
LogP5.32
Rot. Bonds2

About 2-[5-(6-cyano-1H-indol-2-yl)furan-2-yl]-1H-indole-6-carbonitrile

2-[5-(6-cyano-1H-indol-2-yl)furan-2-yl]-1H-indole-6-carbonitrile (PubChem CID 89486982) has the molecular formula C22H12N4O and a molecular weight of 348.37 g/mol. Its IUPAC name is 2-[5-(6-cyano-1H-indol-2-yl)furan-2-yl]-1H-indole-6-carbonitrile.

Molecular Properties

Compound Name2-[5-(6-cyano-1H-indol-2-yl)furan-2-yl]-1H-indole-6-carbonitrile
PubChem CID89486982
Molecular FormulaC22H12N4O
Molecular Weight348.37 g/mol
Exact Mass348.10
IUPAC Name2-[5-(6-cyano-1H-indol-2-yl)furan-2-yl]-1H-indole-6-carbonitrile
SMILESN#Cc1ccc2cc(-c3ccc(-c4cc5ccc(C#N)cc5[nH]4)o3)[nH]c2c1
InChIInChI=1S/C22H12N4O/c23-11-13-1-3-15-9-19(25-17(15)7-13)21-5-6-22(27-21)20-10-16-4-2-14(12-24)8-18(16)26-20/h1-10,25-26H
InChIKeyDFWCIOZVQPKYIQ-UHFFFAOYSA-N
XLogP5.32
TPSA92.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.37
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(6-cyano-1H-indol-2-yl)furan-2-yl]-1H-indole-6-carbonitrile?
The IUPAC name of 2-[5-(6-cyano-1H-indol-2-yl)furan-2-yl]-1H-indole-6-carbonitrile (CID 89486982) is 2-[5-(6-cyano-1H-indol-2-yl)furan-2-yl]-1H-indole-6-carbonitrile.
What is the SMILES notation for 2-[5-(6-cyano-1H-indol-2-yl)furan-2-yl]-1H-indole-6-carbonitrile?
The canonical SMILES for 2-[5-(6-cyano-1H-indol-2-yl)furan-2-yl]-1H-indole-6-carbonitrile is N#Cc1ccc2cc(-c3ccc(-c4cc5ccc(C#N)cc5[nH]4)o3)[nH]c2c1.
What is the InChIKey of 2-[5-(6-cyano-1H-indol-2-yl)furan-2-yl]-1H-indole-6-carbonitrile?
The InChIKey is DFWCIOZVQPKYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12N4O/c23-11-13-1-3-15-9-19(25-17(15)7-13)21-5-6-22(27-21)20-10-16-4-2-14(12-24)8-18(16)26-20/h1-10,25-26H.
What are the key properties of 2-[5-(6-cyano-1H-indol-2-yl)furan-2-yl]-1H-indole-6-carbonitrile?
2-[5-(6-cyano-1H-indol-2-yl)furan-2-yl]-1H-indole-6-carbonitrile has a molecular weight of 348.37 g/mol, XLogP of 5.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6-cyano-1H-indol-2-yl)furan-2-yl]-1H-indole-6-carbonitrile is sourced from PubChem (CID 89486982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).