4-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,6-diphenylpyridine

C36H23F2N — CID 134271835

IUPAC4-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,6-diphenylpyridine
SMILESFC1(F)c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)cc21
InChIInChI=1S/C36H23F2N/c37-36(38)32-14-8-7-13-30(32)31-20-19-28(21-33(31)36)24-15-17-25(18-16-24)29-22-34(26-9-3-1-4-10-26)39-35(23-29)27-11-5-2-6-12-27/h1-23H
InChIKeyIBXUMRYOMNDDEX-UHFFFAOYSA-N
MW507.58 g/mol
LogP9.87
Rot. Bonds4

About 4-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,6-diphenylpyridine

4-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,6-diphenylpyridine (PubChem CID 134271835) has the molecular formula C36H23F2N and a molecular weight of 507.58 g/mol. Its IUPAC name is 4-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,6-diphenylpyridine.

Molecular Properties

Compound Name4-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,6-diphenylpyridine
PubChem CID134271835
Molecular FormulaC36H23F2N
Molecular Weight507.58 g/mol
Exact Mass507.18
IUPAC Name4-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,6-diphenylpyridine
SMILESFC1(F)c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)cc21
InChIInChI=1S/C36H23F2N/c37-36(38)32-14-8-7-13-30(32)31-20-19-28(21-33(31)36)24-15-17-25(18-16-24)29-22-34(26-9-3-1-4-10-26)39-35(23-29)27-11-5-2-6-12-27/h1-23H
InChIKeyIBXUMRYOMNDDEX-UHFFFAOYSA-N
XLogP9.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.58
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,6-diphenylpyridine 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 4-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,6-diphenylpyridine?
The IUPAC name of 4-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,6-diphenylpyridine (CID 134271835) is 4-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,6-diphenylpyridine.
What is the SMILES notation for 4-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,6-diphenylpyridine?
The canonical SMILES for 4-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,6-diphenylpyridine is FC1(F)c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)cc21.
What is the InChIKey of 4-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,6-diphenylpyridine?
The InChIKey is IBXUMRYOMNDDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23F2N/c37-36(38)32-14-8-7-13-30(32)31-20-19-28(21-33(31)36)24-15-17-25(18-16-24)29-22-34(26-9-3-1-4-10-26)39-35(23-29)27-11-5-2-6-12-27/h1-23H.
What are the key properties of 4-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,6-diphenylpyridine?
4-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,6-diphenylpyridine has a molecular weight of 507.58 g/mol, XLogP of 9.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,6-diphenylpyridine is sourced from PubChem (CID 134271835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).