3,6-diphenylbenzene-1,2-dicarbonitrile

C20H12N2 — CID 10945840

IUPAC3,6-diphenylbenzene-1,2-dicarbonitrile
SMILESN#Cc1c(-c2ccccc2)ccc(-c2ccccc2)c1C#N
InChIInChI=1S/C20H12N2/c21-13-19-17(15-7-3-1-4-8-15)11-12-18(20(19)14-22)16-9-5-2-6-10-16/h1-12H
InChIKeySKTSZLTUDJZCEX-UHFFFAOYSA-N
MW280.33 g/mol
LogP4.76
Rot. Bonds2

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

3,6-diphenylbenzene-1,2-dicarbonitrile (PubChem CID 10945840) has the molecular formula C20H12N2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3,6-diphenylbenzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name3,6-diphenylbenzene-1,2-dicarbonitrile
PubChem CID10945840
Molecular FormulaC20H12N2
Molecular Weight280.33 g/mol
Exact Mass280.10
IUPAC Name3,6-diphenylbenzene-1,2-dicarbonitrile
SMILESN#Cc1c(-c2ccccc2)ccc(-c2ccccc2)c1C#N
InChIInChI=1S/C20H12N2/c21-13-19-17(15-7-3-1-4-8-15)11-12-18(20(19)14-22)16-9-5-2-6-10-16/h1-12H
InChIKeySKTSZLTUDJZCEX-UHFFFAOYSA-N
XLogP4.76
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-diphenylbenzene-1,2-dicarbonitrile?
The IUPAC name of 3,6-diphenylbenzene-1,2-dicarbonitrile (CID 10945840) is 3,6-diphenylbenzene-1,2-dicarbonitrile.
What is the SMILES notation for 3,6-diphenylbenzene-1,2-dicarbonitrile?
The canonical SMILES for 3,6-diphenylbenzene-1,2-dicarbonitrile is N#Cc1c(-c2ccccc2)ccc(-c2ccccc2)c1C#N.
What is the InChIKey of 3,6-diphenylbenzene-1,2-dicarbonitrile?
The InChIKey is SKTSZLTUDJZCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2/c21-13-19-17(15-7-3-1-4-8-15)11-12-18(20(19)14-22)16-9-5-2-6-10-16/h1-12H.
What are the key properties of 3,6-diphenylbenzene-1,2-dicarbonitrile?
3,6-diphenylbenzene-1,2-dicarbonitrile has a molecular weight of 280.33 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diphenylbenzene-1,2-dicarbonitrile is sourced from PubChem (CID 10945840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).