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

C42H24F8N2 — CID 59609380

IUPAC3-[3-[2,5-bis(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine
SMILESCc1ccccc1-c1cc(-c2c(F)c(F)c(F)c(-c3cccnc3)c2F)c(-c2ccccc2C)cc1-c1c(F)c(F)c(F)c(-c2cccnc2)c1F
InChIInChI=1S/C42H24F8N2/c1-21-9-3-5-13-25(21)27-17-30(34-36(44)32(24-12-8-16-52-20-24)38(46)42(50)40(34)48)28(26-14-6-4-10-22(26)2)18-29(27)33-35(43)31(23-11-7-15-51-19-23)37(45)41(49)39(33)47/h3-20H,1-2H3
InChIKeyYCMAPJUQHMFNFK-UHFFFAOYSA-N
MW708.65 g/mol
LogP12.21
Rot. Bonds6

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

3-[3-[2,5-bis(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine (PubChem CID 59609380) has the molecular formula C42H24F8N2 and a molecular weight of 708.65 g/mol. Its IUPAC name is 3-[3-[2,5-bis(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine.

Molecular Properties

Compound Name3-[3-[2,5-bis(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine
PubChem CID59609380
Molecular FormulaC42H24F8N2
Molecular Weight708.65 g/mol
Exact Mass708.18
IUPAC Name3-[3-[2,5-bis(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine
SMILESCc1ccccc1-c1cc(-c2c(F)c(F)c(F)c(-c3cccnc3)c2F)c(-c2ccccc2C)cc1-c1c(F)c(F)c(F)c(-c2cccnc2)c1F
InChIInChI=1S/C42H24F8N2/c1-21-9-3-5-13-25(21)27-17-30(34-36(44)32(24-12-8-16-52-20-24)38(46)42(50)40(34)48)28(26-14-6-4-10-22(26)2)18-29(27)33-35(43)31(23-11-7-15-51-19-23)37(45)41(49)39(33)47/h3-20H,1-2H3
InChIKeyYCMAPJUQHMFNFK-UHFFFAOYSA-N
XLogP12.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.65
LogP ≤ 512.21
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-[3-[2,5-bis(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine?
The IUPAC name of 3-[3-[2,5-bis(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine (CID 59609380) is 3-[3-[2,5-bis(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine.
What is the SMILES notation for 3-[3-[2,5-bis(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine?
The canonical SMILES for 3-[3-[2,5-bis(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine is Cc1ccccc1-c1cc(-c2c(F)c(F)c(F)c(-c3cccnc3)c2F)c(-c2ccccc2C)cc1-c1c(F)c(F)c(F)c(-c2cccnc2)c1F.
What is the InChIKey of 3-[3-[2,5-bis(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine?
The InChIKey is YCMAPJUQHMFNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24F8N2/c1-21-9-3-5-13-25(21)27-17-30(34-36(44)32(24-12-8-16-52-20-24)38(46)42(50)40(34)48)28(26-14-6-4-10-22(26)2)18-29(27)33-35(43)31(23-11-7-15-51-19-23)37(45)41(49)39(33)47/h3-20H,1-2H3.
What are the key properties of 3-[3-[2,5-bis(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine?
3-[3-[2,5-bis(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine has a molecular weight of 708.65 g/mol, XLogP of 12.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2,5-bis(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-3-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine is sourced from PubChem (CID 59609380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).