5-(2,6-diphenylphenyl)-2-fluorobenzene-1,3-dicarbonitrile;ethane

C28H21FN2 — CID 144713854

IUPAC5-(2,6-diphenylphenyl)-2-fluorobenzene-1,3-dicarbonitrile;ethane
SMILESCC.N#Cc1cc(-c2c(-c3ccccc3)cccc2-c2ccccc2)cc(C#N)c1F
InChIInChI=1S/C26H15FN2.C2H6/c27-26-21(16-28)14-20(15-22(26)17-29)25-23(18-8-3-1-4-9-18)12-7-13-24(25)19-10-5-2-6-11-19;1-2/h1-15H;1-2H3
InChIKeyFBSOBIPLWCILIX-UHFFFAOYSA-N
MW404.49 g/mol
LogP7.60
Rot. Bonds3

About 5-(2,6-diphenylphenyl)-2-fluorobenzene-1,3-dicarbonitrile;ethane

5-(2,6-diphenylphenyl)-2-fluorobenzene-1,3-dicarbonitrile;ethane (PubChem CID 144713854) has the molecular formula C28H21FN2 and a molecular weight of 404.49 g/mol. Its IUPAC name is 5-(2,6-diphenylphenyl)-2-fluorobenzene-1,3-dicarbonitrile;ethane.

Molecular Properties

Compound Name5-(2,6-diphenylphenyl)-2-fluorobenzene-1,3-dicarbonitrile;ethane
PubChem CID144713854
Molecular FormulaC28H21FN2
Molecular Weight404.49 g/mol
Exact Mass404.17
IUPAC Name5-(2,6-diphenylphenyl)-2-fluorobenzene-1,3-dicarbonitrile;ethane
SMILESCC.N#Cc1cc(-c2c(-c3ccccc3)cccc2-c2ccccc2)cc(C#N)c1F
InChIInChI=1S/C26H15FN2.C2H6/c27-26-21(16-28)14-20(15-22(26)17-29)25-23(18-8-3-1-4-9-18)12-7-13-24(25)19-10-5-2-6-11-19;1-2/h1-15H;1-2H3
InChIKeyFBSOBIPLWCILIX-UHFFFAOYSA-N
XLogP7.60
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,6-diphenylphenyl)-2-fluoro-3-isocyanobenzonitrile
CID 140701586
5-(2,6-dimethylphenyl)-2-fluorobenzene-1,3-dicarbonitrile;ethane
CID 144713865
5-[(2E,3E)-2,3-di(ethylidene)-4-naphthalen-1-ylnaphthalen-1-yl]-2-fluorobenzene-1,3-dicarbonitrile
CID 144713874
3-[2-(2,3-dicyanophenyl)-3-phenylphenyl]benzene-1,2-dicarbonitrile
CID 175992914
4-(2,3,4,5,6-pentakis-phenylphenyl)benzene-1,2-dicarbonitrile
CID 86200455
2-fluoro-3-isocyano-5-(10-phenylanthracen-9-yl)benzonitrile
CID 140701465
4,6-bis(3,5-diphenylphenyl)-2,5-difluorobenzene-1,3-dicarbonitrile
CID 139575662
2-(5-methylpyrimidin-2-yl)-3-phenylbenzonitrile
CID 58954363
3-(3-chlorophenyl)-2-fluorobenzonitrile
CID 154824751
4-[2,3-bis(4-cyanophenyl)phenyl]benzonitrile
CID 66870651
ethane;4-fluoro-2-phenoxy-5-phenylbenzene-1,3-dicarbonitrile
CID 144713868
4-[2,6-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 170214643

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-diphenylphenyl)-2-fluorobenzene-1,3-dicarbonitrile;ethane?
The IUPAC name of 5-(2,6-diphenylphenyl)-2-fluorobenzene-1,3-dicarbonitrile;ethane (CID 144713854) is 5-(2,6-diphenylphenyl)-2-fluorobenzene-1,3-dicarbonitrile;ethane.
What is the SMILES notation for 5-(2,6-diphenylphenyl)-2-fluorobenzene-1,3-dicarbonitrile;ethane?
The canonical SMILES for 5-(2,6-diphenylphenyl)-2-fluorobenzene-1,3-dicarbonitrile;ethane is CC.N#Cc1cc(-c2c(-c3ccccc3)cccc2-c2ccccc2)cc(C#N)c1F.
What is the InChIKey of 5-(2,6-diphenylphenyl)-2-fluorobenzene-1,3-dicarbonitrile;ethane?
The InChIKey is FBSOBIPLWCILIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15FN2.C2H6/c27-26-21(16-28)14-20(15-22(26)17-29)25-23(18-8-3-1-4-9-18)12-7-13-24(25)19-10-5-2-6-11-19;1-2/h1-15H;1-2H3.
What are the key properties of 5-(2,6-diphenylphenyl)-2-fluorobenzene-1,3-dicarbonitrile;ethane?
5-(2,6-diphenylphenyl)-2-fluorobenzene-1,3-dicarbonitrile;ethane has a molecular weight of 404.49 g/mol, XLogP of 7.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-diphenylphenyl)-2-fluorobenzene-1,3-dicarbonitrile;ethane is sourced from PubChem (CID 144713854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).