3-[2,3,4,6-tetrafluoro-5-[2-(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine

C42H21F11N2 — CID 59609375

IUPAC3-[2,3,4,6-tetrafluoro-5-[2-(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine
SMILESCc1ccccc1-c1cc(-c2c(F)c(F)c(F)c(-c3cccnc3)c2F)c(-c2ccccc2C(F)(F)F)cc1-c1c(F)c(F)c(F)c(-c2cccnc2)c1F
InChIInChI=1S/C42H21F11N2/c1-20-8-2-3-11-23(20)25-16-28(33-35(44)31(22-10-7-15-55-19-22)37(46)41(50)39(33)48)26(24-12-4-5-13-29(24)42(51,52)53)17-27(25)32-34(43)30(21-9-6-14-54-18-21)36(45)40(49)38(32)47/h2-19H,1H3
InChIKeyUZULRPHFVUJNJY-UHFFFAOYSA-N
MW762.62 g/mol
LogP12.92
Rot. Bonds6

About 3-[2,3,4,6-tetrafluoro-5-[2-(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine

3-[2,3,4,6-tetrafluoro-5-[2-(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine (PubChem CID 59609375) has the molecular formula C42H21F11N2 and a molecular weight of 762.62 g/mol. Its IUPAC name is 3-[2,3,4,6-tetrafluoro-5-[2-(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine.

Molecular Properties

Compound Name3-[2,3,4,6-tetrafluoro-5-[2-(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine
PubChem CID59609375
Molecular FormulaC42H21F11N2
Molecular Weight762.62 g/mol
Exact Mass762.15
IUPAC Name3-[2,3,4,6-tetrafluoro-5-[2-(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine
SMILESCc1ccccc1-c1cc(-c2c(F)c(F)c(F)c(-c3cccnc3)c2F)c(-c2ccccc2C(F)(F)F)cc1-c1c(F)c(F)c(F)c(-c2cccnc2)c1F
InChIInChI=1S/C42H21F11N2/c1-20-8-2-3-11-23(20)25-16-28(33-35(44)31(22-10-7-15-55-19-22)37(46)41(50)39(33)48)26(24-12-4-5-13-29(24)42(51,52)53)17-27(25)32-34(43)30(21-9-6-14-54-18-21)36(45)40(49)38(32)47/h2-19H,1H3
InChIKeyUZULRPHFVUJNJY-UHFFFAOYSA-N
XLogP12.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.62
LogP ≤ 512.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2,3,4,6-tetrafluoro-5-[2-(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine?
The IUPAC name of 3-[2,3,4,6-tetrafluoro-5-[2-(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine (CID 59609375) is 3-[2,3,4,6-tetrafluoro-5-[2-(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine.
What is the SMILES notation for 3-[2,3,4,6-tetrafluoro-5-[2-(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine?
The canonical SMILES for 3-[2,3,4,6-tetrafluoro-5-[2-(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine is Cc1ccccc1-c1cc(-c2c(F)c(F)c(F)c(-c3cccnc3)c2F)c(-c2ccccc2C(F)(F)F)cc1-c1c(F)c(F)c(F)c(-c2cccnc2)c1F.
What is the InChIKey of 3-[2,3,4,6-tetrafluoro-5-[2-(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine?
The InChIKey is UZULRPHFVUJNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H21F11N2/c1-20-8-2-3-11-23(20)25-16-28(33-35(44)31(22-10-7-15-55-19-22)37(46)41(50)39(33)48)26(24-12-4-5-13-29(24)42(51,52)53)17-27(25)32-34(43)30(21-9-6-14-54-18-21)36(45)40(49)38(32)47/h2-19H,1H3.
What are the key properties of 3-[2,3,4,6-tetrafluoro-5-[2-(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine?
3-[2,3,4,6-tetrafluoro-5-[2-(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine has a molecular weight of 762.62 g/mol, XLogP of 12.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3,4,6-tetrafluoro-5-[2-(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]phenyl]pyridine is sourced from PubChem (CID 59609375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).