6-[4-(4-ethylphenyl)phenyl]-1,3-difluoronaphthalene-2-carbonitrile

C25H17F2N — CID 139817536

IUPAC6-[4-(4-ethylphenyl)phenyl]-1,3-difluoronaphthalene-2-carbonitrile
SMILESCCc1ccc(-c2ccc(-c3ccc4c(F)c(C#N)c(F)cc4c3)cc2)cc1
InChIInChI=1S/C25H17F2N/c1-2-16-3-5-17(6-4-16)18-7-9-19(10-8-18)20-11-12-22-21(13-20)14-24(26)23(15-28)25(22)27/h3-14H,2H2,1H3
InChIKeyQGCDGIUVQHVYHX-UHFFFAOYSA-N
MW369.41 g/mol
LogP6.89
Rot. Bonds3

About 6-[4-(4-ethylphenyl)phenyl]-1,3-difluoronaphthalene-2-carbonitrile

6-[4-(4-ethylphenyl)phenyl]-1,3-difluoronaphthalene-2-carbonitrile (PubChem CID 139817536) has the molecular formula C25H17F2N and a molecular weight of 369.41 g/mol. Its IUPAC name is 6-[4-(4-ethylphenyl)phenyl]-1,3-difluoronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-[4-(4-ethylphenyl)phenyl]-1,3-difluoronaphthalene-2-carbonitrile
PubChem CID139817536
Molecular FormulaC25H17F2N
Molecular Weight369.41 g/mol
Exact Mass369.13
IUPAC Name6-[4-(4-ethylphenyl)phenyl]-1,3-difluoronaphthalene-2-carbonitrile
SMILESCCc1ccc(-c2ccc(-c3ccc4c(F)c(C#N)c(F)cc4c3)cc2)cc1
InChIInChI=1S/C25H17F2N/c1-2-16-3-5-17(6-4-16)18-7-9-19(10-8-18)20-11-12-22-21(13-20)14-24(26)23(15-28)25(22)27/h3-14H,2H2,1H3
InChIKeyQGCDGIUVQHVYHX-UHFFFAOYSA-N
XLogP6.89
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.41
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-[4-(4-ethylphenyl)phenyl]-1,3-difluoronaphthalene-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-ethylphenyl)phenyl]-1,3-difluoronaphthalene-2-carbonitrile?
The IUPAC name of 6-[4-(4-ethylphenyl)phenyl]-1,3-difluoronaphthalene-2-carbonitrile (CID 139817536) is 6-[4-(4-ethylphenyl)phenyl]-1,3-difluoronaphthalene-2-carbonitrile.
What is the SMILES notation for 6-[4-(4-ethylphenyl)phenyl]-1,3-difluoronaphthalene-2-carbonitrile?
The canonical SMILES for 6-[4-(4-ethylphenyl)phenyl]-1,3-difluoronaphthalene-2-carbonitrile is CCc1ccc(-c2ccc(-c3ccc4c(F)c(C#N)c(F)cc4c3)cc2)cc1.
What is the InChIKey of 6-[4-(4-ethylphenyl)phenyl]-1,3-difluoronaphthalene-2-carbonitrile?
The InChIKey is QGCDGIUVQHVYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F2N/c1-2-16-3-5-17(6-4-16)18-7-9-19(10-8-18)20-11-12-22-21(13-20)14-24(26)23(15-28)25(22)27/h3-14H,2H2,1H3.
What are the key properties of 6-[4-(4-ethylphenyl)phenyl]-1,3-difluoronaphthalene-2-carbonitrile?
6-[4-(4-ethylphenyl)phenyl]-1,3-difluoronaphthalene-2-carbonitrile has a molecular weight of 369.41 g/mol, XLogP of 6.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-ethylphenyl)phenyl]-1,3-difluoronaphthalene-2-carbonitrile is sourced from PubChem (CID 139817536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).