2-[4-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenylpyridine

C59H38F2N2 — CID 134271771

IUPAC2-[4-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenylpyridine
SMILESFC1(F)c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)cc2-c2cc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)ccc21
InChIInChI=1S/C59H38F2N2/c60-59(61)53-31-29-47(40-21-23-42(24-22-40)50-37-56(44-17-9-3-10-18-44)62-57(38-50)45-19-11-4-12-20-45)33-51(53)52-34-48(30-32-54(52)59)41-25-27-46(28-26-41)58-36-49(39-13-5-1-6-14-39)35-55(63-58)43-15-7-2-8-16-43/h1-38H
InChIKeyJGKYIPCYABEEBT-UHFFFAOYSA-N
MW812.96 g/mol
LogP15.93
Rot. Bonds8

About 2-[4-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenylpyridine

2-[4-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenylpyridine (PubChem CID 134271771) has the molecular formula C59H38F2N2 and a molecular weight of 812.96 g/mol. Its IUPAC name is 2-[4-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenylpyridine.

Molecular Properties

Compound Name2-[4-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenylpyridine
PubChem CID134271771
Molecular FormulaC59H38F2N2
Molecular Weight812.96 g/mol
Exact Mass812.30
IUPAC Name2-[4-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenylpyridine
SMILESFC1(F)c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)cc2-c2cc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)ccc21
InChIInChI=1S/C59H38F2N2/c60-59(61)53-31-29-47(40-21-23-42(24-22-40)50-37-56(44-17-9-3-10-18-44)62-57(38-50)45-19-11-4-12-20-45)33-51(53)52-34-48(30-32-54(52)59)41-25-27-46(28-26-41)58-36-49(39-13-5-1-6-14-39)35-55(63-58)43-15-7-2-8-16-43/h1-38H
InChIKeyJGKYIPCYABEEBT-UHFFFAOYSA-N
XLogP15.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.96
LogP ≤ 515.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenylpyridine with MolForge

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Related Compounds

2-(9,9-difluoro-6-pyridin-4-ylfluoren-3-yl)-4,6-diphenylpyrimidine
CID 134271802
2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine
CID 134272055
2,6-diphenyl-4-[3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine
CID 134272050
4-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyridine
CID 121450695
2,6-diphenyl-4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[4-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine
CID 158428092
2-[4-[6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-difluoro-7,8-dihydrofluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 145277075
2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine
CID 161235712
2-[4-[6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-9H-fluoren-3-yl]phenyl]-4,6-diphenylpyridine
CID 130439847
bis(4-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-2,6-bis(4-phenylphenyl)pyridine);2-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine
CID 161135007
2-[(2E,4Z)-6-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]hexa-2,4-dien-3-yl]-4,6-diphenylpyridine
CID 135247145
4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine
CID 58943272
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine
CID 58943331

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenylpyridine?
The IUPAC name of 2-[4-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenylpyridine (CID 134271771) is 2-[4-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenylpyridine.
What is the SMILES notation for 2-[4-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenylpyridine?
The canonical SMILES for 2-[4-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenylpyridine is FC1(F)c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)cc2-c2cc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)ccc21.
What is the InChIKey of 2-[4-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenylpyridine?
The InChIKey is JGKYIPCYABEEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38F2N2/c60-59(61)53-31-29-47(40-21-23-42(24-22-40)50-37-56(44-17-9-3-10-18-44)62-57(38-50)45-19-11-4-12-20-45)33-51(53)52-34-48(30-32-54(52)59)41-25-27-46(28-26-41)58-36-49(39-13-5-1-6-14-39)35-55(63-58)43-15-7-2-8-16-43/h1-38H.
What are the key properties of 2-[4-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenylpyridine?
2-[4-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenylpyridine has a molecular weight of 812.96 g/mol, XLogP of 15.93, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenylpyridine is sourced from PubChem (CID 134271771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).