2,6-bis(4-fluorophenyl)-4-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)pyridine

C38H29F2NO — CID 102130640

IUPAC2,6-bis(4-fluorophenyl)-4-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)pyridine
SMILESCOc1ccc(-c2c(-c3ccc(C)cc3)c(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C38H29F2NO/c1-24-4-8-27(9-5-24)35-34(26-16-22-33(42-3)23-17-26)36(28-10-6-25(2)7-11-28)38(30-14-20-32(40)21-15-30)41-37(35)29-12-18-31(39)19-13-29/h4-23H,1-3H3
InChIKeyZPRZQVDQENFMMW-UHFFFAOYSA-N
MW553.65 g/mol
LogP10.32
Rot. Bonds6

About 2,6-bis(4-fluorophenyl)-4-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)pyridine

2,6-bis(4-fluorophenyl)-4-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)pyridine (PubChem CID 102130640) has the molecular formula C38H29F2NO and a molecular weight of 553.65 g/mol. Its IUPAC name is 2,6-bis(4-fluorophenyl)-4-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)pyridine.

Molecular Properties

Compound Name2,6-bis(4-fluorophenyl)-4-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)pyridine
PubChem CID102130640
Molecular FormulaC38H29F2NO
Molecular Weight553.65 g/mol
Exact Mass553.22
IUPAC Name2,6-bis(4-fluorophenyl)-4-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)pyridine
SMILESCOc1ccc(-c2c(-c3ccc(C)cc3)c(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C38H29F2NO/c1-24-4-8-27(9-5-24)35-34(26-16-22-33(42-3)23-17-26)36(28-10-6-25(2)7-11-28)38(30-14-20-32(40)21-15-30)41-37(35)29-12-18-31(39)19-13-29/h4-23H,1-3H3
InChIKeyZPRZQVDQENFMMW-UHFFFAOYSA-N
XLogP10.32
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.65
LogP ≤ 510.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-fluorophenyl)-4-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)pyridine?
The IUPAC name of 2,6-bis(4-fluorophenyl)-4-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)pyridine (CID 102130640) is 2,6-bis(4-fluorophenyl)-4-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)pyridine.
What is the SMILES notation for 2,6-bis(4-fluorophenyl)-4-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)pyridine?
The canonical SMILES for 2,6-bis(4-fluorophenyl)-4-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)pyridine is COc1ccc(-c2c(-c3ccc(C)cc3)c(-c3ccc(F)cc3)nc(-c3ccc(F)cc3)c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 2,6-bis(4-fluorophenyl)-4-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)pyridine?
The InChIKey is ZPRZQVDQENFMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H29F2NO/c1-24-4-8-27(9-5-24)35-34(26-16-22-33(42-3)23-17-26)36(28-10-6-25(2)7-11-28)38(30-14-20-32(40)21-15-30)41-37(35)29-12-18-31(39)19-13-29/h4-23H,1-3H3.
What are the key properties of 2,6-bis(4-fluorophenyl)-4-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)pyridine?
2,6-bis(4-fluorophenyl)-4-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)pyridine has a molecular weight of 553.65 g/mol, XLogP of 10.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-fluorophenyl)-4-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)pyridine is sourced from PubChem (CID 102130640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).