2-(3,4-dicyanophenyl)-3-phenylquinoxaline-6,7-dicarbonitrile

C24H10N6 — CID 1217579

IUPAC2-(3,4-dicyanophenyl)-3-phenylquinoxaline-6,7-dicarbonitrile
SMILESN#Cc1ccc(-c2nc3cc(C#N)c(C#N)cc3nc2-c2ccccc2)cc1C#N
InChIInChI=1S/C24H10N6/c25-11-17-7-6-16(8-18(17)12-26)24-23(15-4-2-1-3-5-15)29-21-9-19(13-27)20(14-28)10-22(21)30-24/h1-10H
InChIKeyARJWZNCNXWRXKN-UHFFFAOYSA-N
MW382.39 g/mol
LogP4.45
Rot. Bonds2

About 2-(3,4-dicyanophenyl)-3-phenylquinoxaline-6,7-dicarbonitrile

2-(3,4-dicyanophenyl)-3-phenylquinoxaline-6,7-dicarbonitrile (PubChem CID 1217579) has the molecular formula C24H10N6 and a molecular weight of 382.39 g/mol. Its IUPAC name is 2-(3,4-dicyanophenyl)-3-phenylquinoxaline-6,7-dicarbonitrile.

Molecular Properties

Compound Name2-(3,4-dicyanophenyl)-3-phenylquinoxaline-6,7-dicarbonitrile
PubChem CID1217579
Molecular FormulaC24H10N6
Molecular Weight382.39 g/mol
Exact Mass382.10
IUPAC Name2-(3,4-dicyanophenyl)-3-phenylquinoxaline-6,7-dicarbonitrile
SMILESN#Cc1ccc(-c2nc3cc(C#N)c(C#N)cc3nc2-c2ccccc2)cc1C#N
InChIInChI=1S/C24H10N6/c25-11-17-7-6-16(8-18(17)12-26)24-23(15-4-2-1-3-5-15)29-21-9-19(13-27)20(14-28)10-22(21)30-24/h1-10H
InChIKeyARJWZNCNXWRXKN-UHFFFAOYSA-N
XLogP4.45
TPSA120.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dicyanophenyl)-3-phenylquinoxaline-6,7-dicarbonitrile?
The IUPAC name of 2-(3,4-dicyanophenyl)-3-phenylquinoxaline-6,7-dicarbonitrile (CID 1217579) is 2-(3,4-dicyanophenyl)-3-phenylquinoxaline-6,7-dicarbonitrile.
What is the SMILES notation for 2-(3,4-dicyanophenyl)-3-phenylquinoxaline-6,7-dicarbonitrile?
The canonical SMILES for 2-(3,4-dicyanophenyl)-3-phenylquinoxaline-6,7-dicarbonitrile is N#Cc1ccc(-c2nc3cc(C#N)c(C#N)cc3nc2-c2ccccc2)cc1C#N.
What is the InChIKey of 2-(3,4-dicyanophenyl)-3-phenylquinoxaline-6,7-dicarbonitrile?
The InChIKey is ARJWZNCNXWRXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H10N6/c25-11-17-7-6-16(8-18(17)12-26)24-23(15-4-2-1-3-5-15)29-21-9-19(13-27)20(14-28)10-22(21)30-24/h1-10H.
What are the key properties of 2-(3,4-dicyanophenyl)-3-phenylquinoxaline-6,7-dicarbonitrile?
2-(3,4-dicyanophenyl)-3-phenylquinoxaline-6,7-dicarbonitrile has a molecular weight of 382.39 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dicyanophenyl)-3-phenylquinoxaline-6,7-dicarbonitrile is sourced from PubChem (CID 1217579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).