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

C28H14N4 — CID 175992914

IUPAC3-[2-(2,3-dicyanophenyl)-3-phenylphenyl]benzene-1,2-dicarbonitrile
SMILESN#Cc1cccc(-c2cccc(-c3ccccc3)c2-c2cccc(C#N)c2C#N)c1C#N
InChIInChI=1S/C28H14N4/c29-15-20-9-4-12-23(26(20)17-31)24-14-6-11-22(19-7-2-1-3-8-19)28(24)25-13-5-10-21(16-30)27(25)18-32/h1-14H
InChIKeyDBSNAVBOZMZDTA-UHFFFAOYSA-N
MW406.45 g/mol
LogP6.17
Rot. Bonds3

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

3-[2-(2,3-dicyanophenyl)-3-phenylphenyl]benzene-1,2-dicarbonitrile (PubChem CID 175992914) has the molecular formula C28H14N4 and a molecular weight of 406.45 g/mol. Its IUPAC name is 3-[2-(2,3-dicyanophenyl)-3-phenylphenyl]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name3-[2-(2,3-dicyanophenyl)-3-phenylphenyl]benzene-1,2-dicarbonitrile
PubChem CID175992914
Molecular FormulaC28H14N4
Molecular Weight406.45 g/mol
Exact Mass406.12
IUPAC Name3-[2-(2,3-dicyanophenyl)-3-phenylphenyl]benzene-1,2-dicarbonitrile
SMILESN#Cc1cccc(-c2cccc(-c3ccccc3)c2-c2cccc(C#N)c2C#N)c1C#N
InChIInChI=1S/C28H14N4/c29-15-20-9-4-12-23(26(20)17-31)24-14-6-11-22(19-7-2-1-3-8-19)28(24)25-13-5-10-21(16-30)27(25)18-32/h1-14H
InChIKeyDBSNAVBOZMZDTA-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

2-[2-cyano-3-(2-phenylphenyl)phenyl]-6-(2-phenylphenyl)benzonitrile
CID 58954300
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CID 175833968
2-bromo-3-phenylbenzonitrile
CID 141263565
3-(furan-3-yl)benzene-1,2-dicarbonitrile
CID 76539722
3-(9H-fluoren-1-yl)benzene-1,2-dicarbonitrile
CID 141495090
3-[2-(2,3-dicyanophenyl)ethynyl]benzene-1,2-dicarbonitrile
CID 176917652
3,6-diphenylbenzene-1,2-dicarbonitrile
CID 10945840
2-(5-methylpyrimidin-2-yl)-3-phenylbenzonitrile
CID 58954363
2-[2-(7,10-diphenylfluoranthen-3-yl)phenyl]benzonitrile
CID 70847250
3-ethynyl-2-phenylbenzonitrile
CID 174660644
5-(2,6-diphenylphenyl)-2-fluorobenzene-1,3-dicarbonitrile;ethane
CID 144713854
2-methoxy-3-phenylbenzonitrile
CID 91276072

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dicyanophenyl)-3-phenylphenyl]benzene-1,2-dicarbonitrile?
The IUPAC name of 3-[2-(2,3-dicyanophenyl)-3-phenylphenyl]benzene-1,2-dicarbonitrile (CID 175992914) is 3-[2-(2,3-dicyanophenyl)-3-phenylphenyl]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 3-[2-(2,3-dicyanophenyl)-3-phenylphenyl]benzene-1,2-dicarbonitrile?
The canonical SMILES for 3-[2-(2,3-dicyanophenyl)-3-phenylphenyl]benzene-1,2-dicarbonitrile is N#Cc1cccc(-c2cccc(-c3ccccc3)c2-c2cccc(C#N)c2C#N)c1C#N.
What is the InChIKey of 3-[2-(2,3-dicyanophenyl)-3-phenylphenyl]benzene-1,2-dicarbonitrile?
The InChIKey is DBSNAVBOZMZDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H14N4/c29-15-20-9-4-12-23(26(20)17-31)24-14-6-11-22(19-7-2-1-3-8-19)28(24)25-13-5-10-21(16-30)27(25)18-32/h1-14H.
What are the key properties of 3-[2-(2,3-dicyanophenyl)-3-phenylphenyl]benzene-1,2-dicarbonitrile?
3-[2-(2,3-dicyanophenyl)-3-phenylphenyl]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 3-[2-(2,3-dicyanophenyl)-3-phenylphenyl]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 175992914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).