2-(3-phenylphenyl)benzene-1,3,5-tricarbonitrile

C21H11N3 — CID 126496826

IUPAC2-(3-phenylphenyl)benzene-1,3,5-tricarbonitrile
SMILESN#Cc1cc(C#N)c(-c2cccc(-c3ccccc3)c2)c(C#N)c1
InChIInChI=1S/C21H11N3/c22-12-15-9-19(13-23)21(20(10-15)14-24)18-8-4-7-17(11-18)16-5-2-1-3-6-16/h1-11H
InChIKeyCJXNTNGGUCQKAN-UHFFFAOYSA-N
MW305.34 g/mol
LogP4.64
Rot. Bonds2

About 2-(3-phenylphenyl)benzene-1,3,5-tricarbonitrile

2-(3-phenylphenyl)benzene-1,3,5-tricarbonitrile (PubChem CID 126496826) has the molecular formula C21H11N3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-(3-phenylphenyl)benzene-1,3,5-tricarbonitrile.

Molecular Properties

Compound Name2-(3-phenylphenyl)benzene-1,3,5-tricarbonitrile
PubChem CID126496826
Molecular FormulaC21H11N3
Molecular Weight305.34 g/mol
Exact Mass305.10
IUPAC Name2-(3-phenylphenyl)benzene-1,3,5-tricarbonitrile
SMILESN#Cc1cc(C#N)c(-c2cccc(-c3ccccc3)c2)c(C#N)c1
InChIInChI=1S/C21H11N3/c22-12-15-9-19(13-23)21(20(10-15)14-24)18-8-4-7-17(11-18)16-5-2-1-3-6-16/h1-11H
InChIKeyCJXNTNGGUCQKAN-UHFFFAOYSA-N
XLogP4.64
TPSA71.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzonitrile
CID 23579757
2-[4-(10-phenylphenazin-5-yl)phenyl]benzene-1,3,5-tricarbonitrile
CID 122435734
2-[3-[7-[3,5-bis(2,4,6-tricyanophenyl)phenyl]dibenzofuran-3-yl]-5-(2,4,6-tricyanophenyl)phenyl]benzene-1,3,5-tricarbonitrile
CID 135252734
3-phenyl-5-(3-pyridin-2-ylphenyl)benzonitrile
CID 90393137
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
3-(10-phenylanthracen-9-yl)benzonitrile
CID 89026886
2-bromo-4-[3-(4-cyanophenyl)phenyl]benzonitrile
CID 142732591
3-[4-(1,2,2-triphenylethenyl)phenyl]benzonitrile
CID 139203949
5-[3-[7,10-bis(3-phenylphenyl)fluoranthen-8-yl]phenyl]benzene-1,3-dicarbonitrile
CID 166868365
3-[3-[4-chloro-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774596
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylphenyl)benzene-1,3,5-tricarbonitrile?
The IUPAC name of 2-(3-phenylphenyl)benzene-1,3,5-tricarbonitrile (CID 126496826) is 2-(3-phenylphenyl)benzene-1,3,5-tricarbonitrile.
What is the SMILES notation for 2-(3-phenylphenyl)benzene-1,3,5-tricarbonitrile?
The canonical SMILES for 2-(3-phenylphenyl)benzene-1,3,5-tricarbonitrile is N#Cc1cc(C#N)c(-c2cccc(-c3ccccc3)c2)c(C#N)c1.
What is the InChIKey of 2-(3-phenylphenyl)benzene-1,3,5-tricarbonitrile?
The InChIKey is CJXNTNGGUCQKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11N3/c22-12-15-9-19(13-23)21(20(10-15)14-24)18-8-4-7-17(11-18)16-5-2-1-3-6-16/h1-11H.
What are the key properties of 2-(3-phenylphenyl)benzene-1,3,5-tricarbonitrile?
2-(3-phenylphenyl)benzene-1,3,5-tricarbonitrile has a molecular weight of 305.34 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylphenyl)benzene-1,3,5-tricarbonitrile is sourced from PubChem (CID 126496826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).