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

C36H23F2N — CID 134271836

IUPAC2-[4-(9,9-difluorofluoren-2-yl)phenyl]-4,6-diphenylpyridine
SMILESFC1(F)c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)cc21
InChIInChI=1S/C36H23F2N/c37-36(38)32-14-8-7-13-30(32)31-20-19-28(21-33(31)36)25-15-17-27(18-16-25)35-23-29(24-9-3-1-4-10-24)22-34(39-35)26-11-5-2-6-12-26/h1-23H
InChIKeyYCDAVMBDDUWVEG-UHFFFAOYSA-N
MW507.58 g/mol
LogP9.87
Rot. Bonds4

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

2-[4-(9,9-difluorofluoren-2-yl)phenyl]-4,6-diphenylpyridine (PubChem CID 134271836) has the molecular formula C36H23F2N and a molecular weight of 507.58 g/mol. Its IUPAC name is 2-[4-(9,9-difluorofluoren-2-yl)phenyl]-4,6-diphenylpyridine.

Molecular Properties

Compound Name2-[4-(9,9-difluorofluoren-2-yl)phenyl]-4,6-diphenylpyridine
PubChem CID134271836
Molecular FormulaC36H23F2N
Molecular Weight507.58 g/mol
Exact Mass507.18
IUPAC Name2-[4-(9,9-difluorofluoren-2-yl)phenyl]-4,6-diphenylpyridine
SMILESFC1(F)c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)cc21
InChIInChI=1S/C36H23F2N/c37-36(38)32-14-8-7-13-30(32)31-20-19-28(21-33(31)36)25-15-17-27(18-16-25)35-23-29(24-9-3-1-4-10-24)22-34(39-35)26-11-5-2-6-12-26/h1-23H
InChIKeyYCDAVMBDDUWVEG-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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,9-difluorofluoren-2-yl)phenyl]-4,6-diphenylpyridine?
The IUPAC name of 2-[4-(9,9-difluorofluoren-2-yl)phenyl]-4,6-diphenylpyridine (CID 134271836) is 2-[4-(9,9-difluorofluoren-2-yl)phenyl]-4,6-diphenylpyridine.
What is the SMILES notation for 2-[4-(9,9-difluorofluoren-2-yl)phenyl]-4,6-diphenylpyridine?
The canonical SMILES for 2-[4-(9,9-difluorofluoren-2-yl)phenyl]-4,6-diphenylpyridine is FC1(F)c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)cc21.
What is the InChIKey of 2-[4-(9,9-difluorofluoren-2-yl)phenyl]-4,6-diphenylpyridine?
The InChIKey is YCDAVMBDDUWVEG-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)25-15-17-27(18-16-25)35-23-29(24-9-3-1-4-10-24)22-34(39-35)26-11-5-2-6-12-26/h1-23H.
What are the key properties of 2-[4-(9,9-difluorofluoren-2-yl)phenyl]-4,6-diphenylpyridine?
2-[4-(9,9-difluorofluoren-2-yl)phenyl]-4,6-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 2-[4-(9,9-difluorofluoren-2-yl)phenyl]-4,6-diphenylpyridine is sourced from PubChem (CID 134271836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).