6-[2,6-difluoro-4-(2-fluoro-4-heptylphenyl)phenyl]-2,3-difluoronaphthalene

C29H25F5 — CID 139846711

IUPAC6-[2,6-difluoro-4-(2-fluoro-4-heptylphenyl)phenyl]-2,3-difluoronaphthalene
SMILESCCCCCCCc1ccc(-c2cc(F)c(-c3ccc4cc(F)c(F)cc4c3)c(F)c2)c(F)c1
InChIInChI=1S/C29H25F5/c1-2-3-4-5-6-7-18-8-11-23(24(30)12-18)22-16-27(33)29(28(34)17-22)20-10-9-19-14-25(31)26(32)15-21(19)13-20/h8-17H,2-7H2,1H3
InChIKeyDNNSLUMGZZBVGB-UHFFFAOYSA-N
MW468.51 g/mol
LogP9.38
Rot. Bonds8

About 6-[2,6-difluoro-4-(2-fluoro-4-heptylphenyl)phenyl]-2,3-difluoronaphthalene

6-[2,6-difluoro-4-(2-fluoro-4-heptylphenyl)phenyl]-2,3-difluoronaphthalene (PubChem CID 139846711) has the molecular formula C29H25F5 and a molecular weight of 468.51 g/mol. Its IUPAC name is 6-[2,6-difluoro-4-(2-fluoro-4-heptylphenyl)phenyl]-2,3-difluoronaphthalene.

Molecular Properties

Compound Name6-[2,6-difluoro-4-(2-fluoro-4-heptylphenyl)phenyl]-2,3-difluoronaphthalene
PubChem CID139846711
Molecular FormulaC29H25F5
Molecular Weight468.51 g/mol
Exact Mass468.19
IUPAC Name6-[2,6-difluoro-4-(2-fluoro-4-heptylphenyl)phenyl]-2,3-difluoronaphthalene
SMILESCCCCCCCc1ccc(-c2cc(F)c(-c3ccc4cc(F)c(F)cc4c3)c(F)c2)c(F)c1
InChIInChI=1S/C29H25F5/c1-2-3-4-5-6-7-18-8-11-23(24(30)12-18)22-16-27(33)29(28(34)17-22)20-10-9-19-14-25(31)26(32)15-21(19)13-20/h8-17H,2-7H2,1H3
InChIKeyDNNSLUMGZZBVGB-UHFFFAOYSA-N
XLogP9.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.51
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[2,6-difluoro-4-(2-fluoro-4-heptylphenyl)phenyl]-2,3-difluoronaphthalene with MolForge

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

Launch Full Analysis

Related Compounds

6-[4-(2,6-difluoro-4-pentylphenyl)-2-fluorophenyl]-2,3-difluoronaphthalene
CID 139847069
2,3-difluoro-6-(2-fluoro-4-hexylphenyl)naphthalene
CID 139847283
6-[2,6-difluoro-4-(2-fluoro-4-heptylphenyl)phenyl]-1,2,3-trifluoronaphthalene
CID 139846986
1-[4-(2,6-difluoro-4-pentylphenyl)-2-fluorophenyl]-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene
CID 118593552
6-[2,6-difluoro-4-[2-(2-fluoro-4-hexylphenyl)ethynyl]phenyl]-2,3-difluoronaphthalene
CID 139846707
6-[4-(2,6-difluoro-4-pentylphenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene
CID 139846752
2,3-difluoro-6-[2-[4-(2-fluoro-4-pentylphenyl)phenyl]ethynyl]naphthalene
CID 139859423
2,3-difluoro-6-[2-[2-fluoro-4-(2-fluoro-4-heptylphenyl)phenyl]ethynyl]naphthalene
CID 139847102
2-fluoro-1-(4-heptylphenyl)-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19906944
2-(2,2-difluoroethenyl)-6-[2,6-difluoro-4-(2-fluoro-4-pentylphenyl)phenyl]-1,3-difluoronaphthalene
CID 139855817
1,2-difluoro-6-(2-fluoro-4-heptylphenyl)naphthalene
CID 139847108
5-[4-[4-[difluoro-(2-fluoro-4-pentylphenyl)methoxy]phenyl]-2-fluorophenyl]-2-(3,4-difluorophenyl)-1,3-difluorobenzene
CID 59329540

Frequently Asked Questions

What is the IUPAC name of 6-[2,6-difluoro-4-(2-fluoro-4-heptylphenyl)phenyl]-2,3-difluoronaphthalene?
The IUPAC name of 6-[2,6-difluoro-4-(2-fluoro-4-heptylphenyl)phenyl]-2,3-difluoronaphthalene (CID 139846711) is 6-[2,6-difluoro-4-(2-fluoro-4-heptylphenyl)phenyl]-2,3-difluoronaphthalene.
What is the SMILES notation for 6-[2,6-difluoro-4-(2-fluoro-4-heptylphenyl)phenyl]-2,3-difluoronaphthalene?
The canonical SMILES for 6-[2,6-difluoro-4-(2-fluoro-4-heptylphenyl)phenyl]-2,3-difluoronaphthalene is CCCCCCCc1ccc(-c2cc(F)c(-c3ccc4cc(F)c(F)cc4c3)c(F)c2)c(F)c1.
What is the InChIKey of 6-[2,6-difluoro-4-(2-fluoro-4-heptylphenyl)phenyl]-2,3-difluoronaphthalene?
The InChIKey is DNNSLUMGZZBVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F5/c1-2-3-4-5-6-7-18-8-11-23(24(30)12-18)22-16-27(33)29(28(34)17-22)20-10-9-19-14-25(31)26(32)15-21(19)13-20/h8-17H,2-7H2,1H3.
What are the key properties of 6-[2,6-difluoro-4-(2-fluoro-4-heptylphenyl)phenyl]-2,3-difluoronaphthalene?
6-[2,6-difluoro-4-(2-fluoro-4-heptylphenyl)phenyl]-2,3-difluoronaphthalene has a molecular weight of 468.51 g/mol, XLogP of 9.38, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,6-difluoro-4-(2-fluoro-4-heptylphenyl)phenyl]-2,3-difluoronaphthalene is sourced from PubChem (CID 139846711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).