5-[2-[3-[2-(4-fluorophenyl)phenyl]-5-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine

C54H39FN2 — CID 134191312

IUPAC5-[2-[3-[2-(4-fluorophenyl)phenyl]-5-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine
SMILESCc1cc(-c2ccccc2)ncc1-c1ccccc1-c1cc(-c2ccccc2-c2ccc(F)cc2)cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2C)c1
InChIInChI=1S/C54H39FN2/c1-36-29-53(39-15-5-3-6-16-39)56-34-51(36)49-23-13-11-21-47(49)42-31-41(46-20-10-9-19-45(46)38-25-27-44(55)28-26-38)32-43(33-42)48-22-12-14-24-50(48)52-35-57-54(30-37(52)2)40-17-7-4-8-18-40/h3-35H,1-2H3
InChIKeyREEXCKBZZKFKNP-UHFFFAOYSA-N
MW734.92 g/mol
LogP14.57
Rot. Bonds8

About 5-[2-[3-[2-(4-fluorophenyl)phenyl]-5-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine

5-[2-[3-[2-(4-fluorophenyl)phenyl]-5-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine (PubChem CID 134191312) has the molecular formula C54H39FN2 and a molecular weight of 734.92 g/mol. Its IUPAC name is 5-[2-[3-[2-(4-fluorophenyl)phenyl]-5-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine.

Molecular Properties

Compound Name5-[2-[3-[2-(4-fluorophenyl)phenyl]-5-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine
PubChem CID134191312
Molecular FormulaC54H39FN2
Molecular Weight734.92 g/mol
Exact Mass734.31
IUPAC Name5-[2-[3-[2-(4-fluorophenyl)phenyl]-5-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine
SMILESCc1cc(-c2ccccc2)ncc1-c1ccccc1-c1cc(-c2ccccc2-c2ccc(F)cc2)cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2C)c1
InChIInChI=1S/C54H39FN2/c1-36-29-53(39-15-5-3-6-16-39)56-34-51(36)49-23-13-11-21-47(49)42-31-41(46-20-10-9-19-45(46)38-25-27-44(55)28-26-38)32-43(33-42)48-22-12-14-24-50(48)52-35-57-54(30-37(52)2)40-17-7-4-8-18-40/h3-35H,1-2H3
InChIKeyREEXCKBZZKFKNP-UHFFFAOYSA-N
XLogP14.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.92
LogP ≤ 514.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-[2-(4-fluorophenyl)phenyl]-5-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine?
The IUPAC name of 5-[2-[3-[2-(4-fluorophenyl)phenyl]-5-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine (CID 134191312) is 5-[2-[3-[2-(4-fluorophenyl)phenyl]-5-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine.
What is the SMILES notation for 5-[2-[3-[2-(4-fluorophenyl)phenyl]-5-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine?
The canonical SMILES for 5-[2-[3-[2-(4-fluorophenyl)phenyl]-5-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine is Cc1cc(-c2ccccc2)ncc1-c1ccccc1-c1cc(-c2ccccc2-c2ccc(F)cc2)cc(-c2ccccc2-c2cnc(-c3ccccc3)cc2C)c1.
What is the InChIKey of 5-[2-[3-[2-(4-fluorophenyl)phenyl]-5-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine?
The InChIKey is REEXCKBZZKFKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39FN2/c1-36-29-53(39-15-5-3-6-16-39)56-34-51(36)49-23-13-11-21-47(49)42-31-41(46-20-10-9-19-45(46)38-25-27-44(55)28-26-38)32-43(33-42)48-22-12-14-24-50(48)52-35-57-54(30-37(52)2)40-17-7-4-8-18-40/h3-35H,1-2H3.
What are the key properties of 5-[2-[3-[2-(4-fluorophenyl)phenyl]-5-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine?
5-[2-[3-[2-(4-fluorophenyl)phenyl]-5-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine has a molecular weight of 734.92 g/mol, XLogP of 14.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-[2-(4-fluorophenyl)phenyl]-5-[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine is sourced from PubChem (CID 134191312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).