4-[4-[4-(3,4-dicyanophenyl)phenyl]phenyl]benzene-1,2-dicarbonitrile

C28H14N4 — CID 21219307

IUPAC4-[4-[4-(3,4-dicyanophenyl)phenyl]phenyl]benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C#N)c(C#N)c4)cc3)cc2)cc1C#N
InChIInChI=1S/C28H14N4/c29-15-25-11-9-23(13-27(25)17-31)21-5-1-19(2-6-21)20-3-7-22(8-4-20)24-10-12-26(16-30)28(14-24)18-32/h1-14H
InChIKeyLVTPIYMYXSBMGO-UHFFFAOYSA-N
MW406.45 g/mol
LogP6.17
Rot. Bonds3

About 4-[4-[4-(3,4-dicyanophenyl)phenyl]phenyl]benzene-1,2-dicarbonitrile

4-[4-[4-(3,4-dicyanophenyl)phenyl]phenyl]benzene-1,2-dicarbonitrile (PubChem CID 21219307) has the molecular formula C28H14N4 and a molecular weight of 406.45 g/mol. Its IUPAC name is 4-[4-[4-(3,4-dicyanophenyl)phenyl]phenyl]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-[4-[4-(3,4-dicyanophenyl)phenyl]phenyl]benzene-1,2-dicarbonitrile
PubChem CID21219307
Molecular FormulaC28H14N4
Molecular Weight406.45 g/mol
Exact Mass406.12
IUPAC Name4-[4-[4-(3,4-dicyanophenyl)phenyl]phenyl]benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C#N)c(C#N)c4)cc3)cc2)cc1C#N
InChIInChI=1S/C28H14N4/c29-15-25-11-9-23(13-27(25)17-31)21-5-1-19(2-6-21)20-3-7-22(8-4-20)24-10-12-26(16-30)28(14-24)18-32/h1-14H
InChIKeyLVTPIYMYXSBMGO-UHFFFAOYSA-N
XLogP6.17
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.45
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-Cyanoanthracene
CID 14586
2-Cyano-4'-methylbiphenyl
CID 145512
(1,1'-Biphenyl)-4,4'-dicarbonitrile
CID 15321
alpha-(Diphenylmethylene)benzeneacetonitrile
CID 22743
9-Phenanthrenecarbonitrile
CID 17279
2-Naphthalenecarbonitrile
CID 11944
2-(9-Anthracenylmethylene)propanedinitrile
CID 41459
6-tert-Butyl-2,3-naphthalenedicarbonitrile
CID 613000
9,10-Dicyanoanthracene
CID 71035
4,4'-(p-Phenylenediethene-2,1-diyl)bisbenzonitrile
CID 5379112
(1,1':4',1''-Terphenyl)-4-carbonitrile, 4''-pentyl-
CID 104707
3,9-Phenanthrenedicarbonitrile
CID 344025

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(3,4-dicyanophenyl)phenyl]phenyl]benzene-1,2-dicarbonitrile?
The IUPAC name of 4-[4-[4-(3,4-dicyanophenyl)phenyl]phenyl]benzene-1,2-dicarbonitrile (CID 21219307) is 4-[4-[4-(3,4-dicyanophenyl)phenyl]phenyl]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-[4-[4-(3,4-dicyanophenyl)phenyl]phenyl]benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-[4-[4-(3,4-dicyanophenyl)phenyl]phenyl]benzene-1,2-dicarbonitrile is N#Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C#N)c(C#N)c4)cc3)cc2)cc1C#N.
What is the InChIKey of 4-[4-[4-(3,4-dicyanophenyl)phenyl]phenyl]benzene-1,2-dicarbonitrile?
The InChIKey is LVTPIYMYXSBMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H14N4/c29-15-25-11-9-23(13-27(25)17-31)21-5-1-19(2-6-21)20-3-7-22(8-4-20)24-10-12-26(16-30)28(14-24)18-32/h1-14H.
What are the key properties of 4-[4-[4-(3,4-dicyanophenyl)phenyl]phenyl]benzene-1,2-dicarbonitrile?
4-[4-[4-(3,4-dicyanophenyl)phenyl]phenyl]benzene-1,2-dicarbonitrile has a molecular weight of 406.45 g/mol, XLogP of 6.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(3,4-dicyanophenyl)phenyl]phenyl]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 21219307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).