2-amino-4,6-diphenylbenzene-1,3-dicarbonitrile

C20H13N3 — CID 668096

IUPAC2-amino-4,6-diphenylbenzene-1,3-dicarbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccccc2)c(C#N)c1N
InChIInChI=1S/C20H13N3/c21-12-18-16(14-7-3-1-4-8-14)11-17(19(13-22)20(18)23)15-9-5-2-6-10-15/h1-11H,23H2
InChIKeyFYLKFHCJXCBNQG-UHFFFAOYSA-N
MW295.35 g/mol
LogP4.35
Rot. Bonds2

About 2-amino-4,6-diphenylbenzene-1,3-dicarbonitrile

2-amino-4,6-diphenylbenzene-1,3-dicarbonitrile (PubChem CID 668096) has the molecular formula C20H13N3 and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-amino-4,6-diphenylbenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4,6-diphenylbenzene-1,3-dicarbonitrile
PubChem CID668096
Molecular FormulaC20H13N3
Molecular Weight295.35 g/mol
Exact Mass295.11
IUPAC Name2-amino-4,6-diphenylbenzene-1,3-dicarbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccccc2)c(C#N)c1N
InChIInChI=1S/C20H13N3/c21-12-18-16(14-7-3-1-4-8-14)11-17(19(13-22)20(18)23)15-9-5-2-6-10-15/h1-11H,23H2
InChIKeyFYLKFHCJXCBNQG-UHFFFAOYSA-N
XLogP4.35
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-diphenylbenzene-1,3-dicarbonitrile?
The IUPAC name of 2-amino-4,6-diphenylbenzene-1,3-dicarbonitrile (CID 668096) is 2-amino-4,6-diphenylbenzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-amino-4,6-diphenylbenzene-1,3-dicarbonitrile?
The canonical SMILES for 2-amino-4,6-diphenylbenzene-1,3-dicarbonitrile is N#Cc1c(-c2ccccc2)cc(-c2ccccc2)c(C#N)c1N.
What is the InChIKey of 2-amino-4,6-diphenylbenzene-1,3-dicarbonitrile?
The InChIKey is FYLKFHCJXCBNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3/c21-12-18-16(14-7-3-1-4-8-14)11-17(19(13-22)20(18)23)15-9-5-2-6-10-15/h1-11H,23H2.
What are the key properties of 2-amino-4,6-diphenylbenzene-1,3-dicarbonitrile?
2-amino-4,6-diphenylbenzene-1,3-dicarbonitrile has a molecular weight of 295.35 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-diphenylbenzene-1,3-dicarbonitrile is sourced from PubChem (CID 668096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).