1,2-bis(4-methoxyphenyl)-6-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-2H-pyridine

C33H28F3NO2 — CID 135067673

IUPAC1,2-bis(4-methoxyphenyl)-6-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-2H-pyridine
SMILESCOc1ccc(C2C(c3ccc(C(F)(F)F)cc3)=C(c3ccccc3)C=C(C)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C33H28F3NO2/c1-22-21-30(23-7-5-4-6-8-23)31(24-9-13-26(14-10-24)33(34,35)36)32(25-11-17-28(38-2)18-12-25)37(22)27-15-19-29(39-3)20-16-27/h4-21,32H,1-3H3
InChIKeyOXMSORYFQVGHSS-UHFFFAOYSA-N
MW527.59 g/mol
LogP8.80
Rot. Bonds6

About 1,2-bis(4-methoxyphenyl)-6-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-2H-pyridine

1,2-bis(4-methoxyphenyl)-6-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-2H-pyridine (PubChem CID 135067673) has the molecular formula C33H28F3NO2 and a molecular weight of 527.59 g/mol. Its IUPAC name is 1,2-bis(4-methoxyphenyl)-6-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-2H-pyridine.

Molecular Properties

Compound Name1,2-bis(4-methoxyphenyl)-6-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-2H-pyridine
PubChem CID135067673
Molecular FormulaC33H28F3NO2
Molecular Weight527.59 g/mol
Exact Mass527.21
IUPAC Name1,2-bis(4-methoxyphenyl)-6-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-2H-pyridine
SMILESCOc1ccc(C2C(c3ccc(C(F)(F)F)cc3)=C(c3ccccc3)C=C(C)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C33H28F3NO2/c1-22-21-30(23-7-5-4-6-8-23)31(24-9-13-26(14-10-24)33(34,35)36)32(25-11-17-28(38-2)18-12-25)37(22)27-15-19-29(39-3)20-16-27/h4-21,32H,1-3H3
InChIKeyOXMSORYFQVGHSS-UHFFFAOYSA-N
XLogP8.80
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.59
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 124917054
9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene
CID 122370617
(1R)-1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,5,6,7-tetrahydropyrazolo[1,2-a][1,2,4]triazol-3-one
CID 92666298
3-(4-methoxyphenyl)-1-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole
CID 132940971
(2R)-2-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one
CID 94071830
2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
CID 71608846
(4S)-4-(4-methoxyphenyl)-1-phenylazetidine-2,3-dione
CID 23636202
4-(4-methoxyphenyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 174394516
2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenyl-7-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
CID 118710918
2-(4-methoxyphenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]imidazole
CID 53243372
(2S)-2-(4-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 94073399
2-(4-methoxyphenyl)-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene
CID 46181810

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-methoxyphenyl)-6-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-2H-pyridine?
The IUPAC name of 1,2-bis(4-methoxyphenyl)-6-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-2H-pyridine (CID 135067673) is 1,2-bis(4-methoxyphenyl)-6-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-2H-pyridine.
What is the SMILES notation for 1,2-bis(4-methoxyphenyl)-6-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-2H-pyridine?
The canonical SMILES for 1,2-bis(4-methoxyphenyl)-6-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-2H-pyridine is COc1ccc(C2C(c3ccc(C(F)(F)F)cc3)=C(c3ccccc3)C=C(C)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of 1,2-bis(4-methoxyphenyl)-6-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-2H-pyridine?
The InChIKey is OXMSORYFQVGHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28F3NO2/c1-22-21-30(23-7-5-4-6-8-23)31(24-9-13-26(14-10-24)33(34,35)36)32(25-11-17-28(38-2)18-12-25)37(22)27-15-19-29(39-3)20-16-27/h4-21,32H,1-3H3.
What are the key properties of 1,2-bis(4-methoxyphenyl)-6-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-2H-pyridine?
1,2-bis(4-methoxyphenyl)-6-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-2H-pyridine has a molecular weight of 527.59 g/mol, XLogP of 8.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-methoxyphenyl)-6-methyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]-2H-pyridine is sourced from PubChem (CID 135067673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).