6,7-difluoro-1,3-diphenylnaphthalene-2-carbonitrile

C23H13F2N — CID 154635041

IUPAC6,7-difluoro-1,3-diphenylnaphthalene-2-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc2cc(F)c(F)cc2c1-c1ccccc1
InChIInChI=1S/C23H13F2N/c24-21-12-17-11-18(15-7-3-1-4-8-15)20(14-26)23(19(17)13-22(21)25)16-9-5-2-6-10-16/h1-13H
InChIKeyKKFLHKCQFAUWHS-UHFFFAOYSA-N
MW341.36 g/mol
LogP6.32
Rot. Bonds2

About 6,7-difluoro-1,3-diphenylnaphthalene-2-carbonitrile

6,7-difluoro-1,3-diphenylnaphthalene-2-carbonitrile (PubChem CID 154635041) has the molecular formula C23H13F2N and a molecular weight of 341.36 g/mol. Its IUPAC name is 6,7-difluoro-1,3-diphenylnaphthalene-2-carbonitrile.

Molecular Properties

Compound Name6,7-difluoro-1,3-diphenylnaphthalene-2-carbonitrile
PubChem CID154635041
Molecular FormulaC23H13F2N
Molecular Weight341.36 g/mol
Exact Mass341.10
IUPAC Name6,7-difluoro-1,3-diphenylnaphthalene-2-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc2cc(F)c(F)cc2c1-c1ccccc1
InChIInChI=1S/C23H13F2N/c24-21-12-17-11-18(15-7-3-1-4-8-15)20(14-26)23(19(17)13-22(21)25)16-9-5-2-6-10-16/h1-13H
InChIKeyKKFLHKCQFAUWHS-UHFFFAOYSA-N
XLogP6.32
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.36
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-fluoro-5-phenylphenyl)-2,6-diphenylbenzonitrile
CID 139035866
2,4-di(dibenzothiophen-2-yl)-3,6-diphenylbenzonitrile
CID 146353990
4-[4-(4-cyano-3,5-difluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-difluorobenzonitrile
CID 163289957
3,6-diphenylbenzene-1,2-dicarbonitrile
CID 10945840
2-amino-4-(4-fluorophenyl)-6-phenylbenzene-1,3-dicarbonitrile
CID 12601373
2-amino-6-(2-fluorophenyl)-4-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5119728
9-methyl-1,3-diphenylcarbazole-2-carbonitrile
CID 3563048
2-(1,3-diphenylanthracen-2-yl)-1,3-diphenylanthracene
CID 173204164
2,3-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalene-1,4-dicarbonitrile
CID 158089522
4-fluoro-3-phenylbenzonitrile
CID 46314741
2,6-diphenyl-4-propan-2-ylbenzonitrile
CID 139441487
2-chloro-1,3-diphenylnaphthalene
CID 12697982

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1,3-diphenylnaphthalene-2-carbonitrile?
The IUPAC name of 6,7-difluoro-1,3-diphenylnaphthalene-2-carbonitrile (CID 154635041) is 6,7-difluoro-1,3-diphenylnaphthalene-2-carbonitrile.
What is the SMILES notation for 6,7-difluoro-1,3-diphenylnaphthalene-2-carbonitrile?
The canonical SMILES for 6,7-difluoro-1,3-diphenylnaphthalene-2-carbonitrile is N#Cc1c(-c2ccccc2)cc2cc(F)c(F)cc2c1-c1ccccc1.
What is the InChIKey of 6,7-difluoro-1,3-diphenylnaphthalene-2-carbonitrile?
The InChIKey is KKFLHKCQFAUWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F2N/c24-21-12-17-11-18(15-7-3-1-4-8-15)20(14-26)23(19(17)13-22(21)25)16-9-5-2-6-10-16/h1-13H.
What are the key properties of 6,7-difluoro-1,3-diphenylnaphthalene-2-carbonitrile?
6,7-difluoro-1,3-diphenylnaphthalene-2-carbonitrile has a molecular weight of 341.36 g/mol, XLogP of 6.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1,3-diphenylnaphthalene-2-carbonitrile is sourced from PubChem (CID 154635041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).