2-[4-[6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

C57H36F2N4 — CID 134271766

IUPAC2-[4-[6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESFC1(F)c2ccc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)cc2-c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc21
InChIInChI=1S/C57H36F2N4/c58-57(59)50-31-29-45(38-21-25-41(26-22-38)53-36-47(37-13-5-1-6-14-37)35-52(60-53)40-15-7-2-8-16-40)33-48(50)49-34-46(30-32-51(49)57)39-23-27-44(28-24-39)56-62-54(42-17-9-3-10-18-42)61-55(63-56)43-19-11-4-12-20-43/h1-36H
InChIKeyHPLMVNNLNFSENM-UHFFFAOYSA-N
MW814.94 g/mol
LogP14.72
Rot. Bonds8

About 2-[4-[6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[4-[6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 134271766) has the molecular formula C57H36F2N4 and a molecular weight of 814.94 g/mol. Its IUPAC name is 2-[4-[6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID134271766
Molecular FormulaC57H36F2N4
Molecular Weight814.94 g/mol
Exact Mass814.29
IUPAC Name2-[4-[6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESFC1(F)c2ccc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)cc2-c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc21
InChIInChI=1S/C57H36F2N4/c58-57(59)50-31-29-45(38-21-25-41(26-22-38)53-36-47(37-13-5-1-6-14-37)35-52(60-53)40-15-7-2-8-16-40)33-48(50)49-34-46(30-32-51(49)57)39-23-27-44(28-24-39)56-62-54(42-17-9-3-10-18-42)61-55(63-56)43-19-11-4-12-20-43/h1-36H
InChIKeyHPLMVNNLNFSENM-UHFFFAOYSA-N
XLogP14.72
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.94
LogP ≤ 514.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 134271766) is 2-[4-[6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is FC1(F)c2ccc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)cc2-c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc21.
What is the InChIKey of 2-[4-[6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is HPLMVNNLNFSENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36F2N4/c58-57(59)50-31-29-45(38-21-25-41(26-22-38)53-36-47(37-13-5-1-6-14-37)35-52(60-53)40-15-7-2-8-16-40)33-48(50)49-34-46(30-32-51(49)57)39-23-27-44(28-24-39)56-62-54(42-17-9-3-10-18-42)61-55(63-56)43-19-11-4-12-20-43/h1-36H.
What are the key properties of 2-[4-[6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-[6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 814.94 g/mol, XLogP of 14.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 134271766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).