4-(4-methoxyphenyl)-2,3,6-tris(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pyridine

C40H32F3NO — CID 102130643

IUPAC4-(4-methoxyphenyl)-2,3,6-tris(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pyridine
SMILESCOc1ccc(-c2c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)nc(-c3ccc(C)cc3)c2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C40H32F3NO/c1-25-5-11-29(12-6-25)36-35(28-19-23-34(45-4)24-20-28)37(30-17-21-33(22-18-30)40(41,42)43)39(32-15-9-27(3)10-16-32)44-38(36)31-13-7-26(2)8-14-31/h5-24H,1-4H3
InChIKeyCYUHKHZVYANVDX-UHFFFAOYSA-N
MW599.70 g/mol
LogP11.37
Rot. Bonds6

About 4-(4-methoxyphenyl)-2,3,6-tris(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pyridine

4-(4-methoxyphenyl)-2,3,6-tris(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 102130643) has the molecular formula C40H32F3NO and a molecular weight of 599.70 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2,3,6-tris(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2,3,6-tris(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID102130643
Molecular FormulaC40H32F3NO
Molecular Weight599.70 g/mol
Exact Mass599.24
IUPAC Name4-(4-methoxyphenyl)-2,3,6-tris(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pyridine
SMILESCOc1ccc(-c2c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)nc(-c3ccc(C)cc3)c2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C40H32F3NO/c1-25-5-11-29(12-6-25)36-35(28-19-23-34(45-4)24-20-28)37(30-17-21-33(22-18-30)40(41,42)43)39(32-15-9-27(3)10-16-32)44-38(36)31-13-7-26(2)8-14-31/h5-24H,1-4H3
InChIKeyCYUHKHZVYANVDX-UHFFFAOYSA-N
XLogP11.37
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.70
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2,3,6-tris(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 4-(4-methoxyphenyl)-2,3,6-tris(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pyridine (CID 102130643) is 4-(4-methoxyphenyl)-2,3,6-tris(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 4-(4-methoxyphenyl)-2,3,6-tris(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 4-(4-methoxyphenyl)-2,3,6-tris(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pyridine is COc1ccc(-c2c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)nc(-c3ccc(C)cc3)c2-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2,3,6-tris(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is CYUHKHZVYANVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32F3NO/c1-25-5-11-29(12-6-25)36-35(28-19-23-34(45-4)24-20-28)37(30-17-21-33(22-18-30)40(41,42)43)39(32-15-9-27(3)10-16-32)44-38(36)31-13-7-26(2)8-14-31/h5-24H,1-4H3.
What are the key properties of 4-(4-methoxyphenyl)-2,3,6-tris(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pyridine?
4-(4-methoxyphenyl)-2,3,6-tris(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 599.70 g/mol, XLogP of 11.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2,3,6-tris(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 102130643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).