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

C42H24F8N2 — CID 59609432

IUPAC2-[3-[2,5-bis(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-2-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine
SMILESCc1ccccc1-c1cc(-c2c(F)c(F)c(F)c(-c3ccccn3)c2F)c(-c2ccccc2C)cc1-c1c(F)c(F)c(F)c(-c2ccccn2)c1F
InChIInChI=1S/C42H24F8N2/c1-21-11-3-5-13-23(21)25-19-28(32-36(44)34(30-16-8-10-18-52-30)40(48)42(50)38(32)46)26(24-14-6-4-12-22(24)2)20-27(25)31-35(43)33(29-15-7-9-17-51-29)39(47)41(49)37(31)45/h3-20H,1-2H3
InChIKeyARVDKAXUVLMLPV-UHFFFAOYSA-N
MW708.65 g/mol
LogP12.21
Rot. Bonds6

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

2-[3-[2,5-bis(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-2-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine (PubChem CID 59609432) has the molecular formula C42H24F8N2 and a molecular weight of 708.65 g/mol. Its IUPAC name is 2-[3-[2,5-bis(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-2-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine.

Molecular Properties

Compound Name2-[3-[2,5-bis(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-2-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine
PubChem CID59609432
Molecular FormulaC42H24F8N2
Molecular Weight708.65 g/mol
Exact Mass708.18
IUPAC Name2-[3-[2,5-bis(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-2-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine
SMILESCc1ccccc1-c1cc(-c2c(F)c(F)c(F)c(-c3ccccn3)c2F)c(-c2ccccc2C)cc1-c1c(F)c(F)c(F)c(-c2ccccn2)c1F
InChIInChI=1S/C42H24F8N2/c1-21-11-3-5-13-23(21)25-19-28(32-36(44)34(30-16-8-10-18-52-30)40(48)42(50)38(32)46)26(24-14-6-4-12-22(24)2)20-27(25)31-35(43)33(29-15-7-9-17-51-29)39(47)41(49)37(31)45/h3-20H,1-2H3
InChIKeyARVDKAXUVLMLPV-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 2-[3-[2,5-bis(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-2-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine?
The IUPAC name of 2-[3-[2,5-bis(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-2-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine (CID 59609432) is 2-[3-[2,5-bis(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-2-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine.
What is the SMILES notation for 2-[3-[2,5-bis(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-2-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine?
The canonical SMILES for 2-[3-[2,5-bis(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-2-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine is Cc1ccccc1-c1cc(-c2c(F)c(F)c(F)c(-c3ccccn3)c2F)c(-c2ccccc2C)cc1-c1c(F)c(F)c(F)c(-c2ccccn2)c1F.
What is the InChIKey of 2-[3-[2,5-bis(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-2-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine?
The InChIKey is ARVDKAXUVLMLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24F8N2/c1-21-11-3-5-13-23(21)25-19-28(32-36(44)34(30-16-8-10-18-52-30)40(48)42(50)38(32)46)26(24-14-6-4-12-22(24)2)20-27(25)31-35(43)33(29-15-7-9-17-51-29)39(47)41(49)37(31)45/h3-20H,1-2H3.
What are the key properties of 2-[3-[2,5-bis(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-2-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine?
2-[3-[2,5-bis(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-2-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 2-[3-[2,5-bis(2-methylphenyl)-4-(2,3,4,6-tetrafluoro-5-pyridin-2-ylphenyl)phenyl]-2,4,5,6-tetrafluorophenyl]pyridine is sourced from PubChem (CID 59609432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).