4-(2-fluoro-5-phenylphenyl)-2,6-diphenylbenzonitrile

C31H20FN — CID 139035866

IUPAC4-(2-fluoro-5-phenylphenyl)-2,6-diphenylbenzonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2cc(-c3ccccc3)ccc2F)cc1-c1ccccc1
InChIInChI=1S/C31H20FN/c32-31-17-16-25(22-10-4-1-5-11-22)18-29(31)26-19-27(23-12-6-2-7-13-23)30(21-33)28(20-26)24-14-8-3-9-15-24/h1-20H
InChIKeyRMBCQDAYKZYNCB-UHFFFAOYSA-N
MW425.51 g/mol
LogP8.37
Rot. Bonds4

About 4-(2-fluoro-5-phenylphenyl)-2,6-diphenylbenzonitrile

4-(2-fluoro-5-phenylphenyl)-2,6-diphenylbenzonitrile (PubChem CID 139035866) has the molecular formula C31H20FN and a molecular weight of 425.51 g/mol. Its IUPAC name is 4-(2-fluoro-5-phenylphenyl)-2,6-diphenylbenzonitrile.

Molecular Properties

Compound Name4-(2-fluoro-5-phenylphenyl)-2,6-diphenylbenzonitrile
PubChem CID139035866
Molecular FormulaC31H20FN
Molecular Weight425.51 g/mol
Exact Mass425.16
IUPAC Name4-(2-fluoro-5-phenylphenyl)-2,6-diphenylbenzonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2cc(-c3ccccc3)ccc2F)cc1-c1ccccc1
InChIInChI=1S/C31H20FN/c32-31-17-16-25(22-10-4-1-5-11-22)18-29(31)26-19-27(23-12-6-2-7-13-23)30(21-33)28(20-26)24-14-8-3-9-15-24/h1-20H
InChIKeyRMBCQDAYKZYNCB-UHFFFAOYSA-N
XLogP8.37
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.51
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-2,6-diphenylbenzonitrile
CID 176994414
4-fluoro-3-phenylbenzonitrile
CID 46314741
2-amino-6-(2-fluorophenyl)-4-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5119728
4-fluoro-3-(2-fluoro-4-phenylphenyl)benzonitrile
CID 138498827
2-(2-fluoro-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 146415001
2-amino-4-(4-fluorophenyl)-6-phenylbenzene-1,3-dicarbonitrile
CID 12601373
2-[4-cyano-3-[4-cyano-3-[4-cyano-3-[4-cyano-3-(4-cyano-3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4-phenylbenzonitrile
CID 100933714
2,6-diphenyl-4-propan-2-ylbenzonitrile
CID 139441487
6,7-difluoro-1,3-diphenylnaphthalene-2-carbonitrile
CID 154635041
3,6-diphenylbenzene-1,2-dicarbonitrile
CID 10945840
4-(2-fluorophenyl)-2,6-bis(2-phenylcarbazol-9-yl)benzonitrile
CID 147225252
4-[7-(4-cyanophenyl)dibenzofuran-1-yl]-2,6-diphenylbenzonitrile
CID 176994433

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-phenylphenyl)-2,6-diphenylbenzonitrile?
The IUPAC name of 4-(2-fluoro-5-phenylphenyl)-2,6-diphenylbenzonitrile (CID 139035866) is 4-(2-fluoro-5-phenylphenyl)-2,6-diphenylbenzonitrile.
What is the SMILES notation for 4-(2-fluoro-5-phenylphenyl)-2,6-diphenylbenzonitrile?
The canonical SMILES for 4-(2-fluoro-5-phenylphenyl)-2,6-diphenylbenzonitrile is N#Cc1c(-c2ccccc2)cc(-c2cc(-c3ccccc3)ccc2F)cc1-c1ccccc1.
What is the InChIKey of 4-(2-fluoro-5-phenylphenyl)-2,6-diphenylbenzonitrile?
The InChIKey is RMBCQDAYKZYNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20FN/c32-31-17-16-25(22-10-4-1-5-11-22)18-29(31)26-19-27(23-12-6-2-7-13-23)30(21-33)28(20-26)24-14-8-3-9-15-24/h1-20H.
What are the key properties of 4-(2-fluoro-5-phenylphenyl)-2,6-diphenylbenzonitrile?
4-(2-fluoro-5-phenylphenyl)-2,6-diphenylbenzonitrile has a molecular weight of 425.51 g/mol, XLogP of 8.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-phenylphenyl)-2,6-diphenylbenzonitrile is sourced from PubChem (CID 139035866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).