2-[4-[2-(3,5-dimethylphenyl)-3-[4-[4-methyl-5-(3-methylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine

C52H41F3N2 — CID 148934306

IUPAC2-[4-[2-(3,5-dimethylphenyl)-3-[4-[4-methyl-5-(3-methylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine
SMILESCc1cccc(-c2cnc(-c3ccc(-c4cccc(-c5ccc(-c6cc(C)c(-c7cccc(C(F)(F)F)c7)cn6)cc5)c4-c4cc(C)cc(C)c4)cc3)cc2C)c1
InChIInChI=1S/C52H41F3N2/c1-32-9-6-10-41(24-32)47-30-56-49(27-35(47)4)39-19-15-37(16-20-39)45-13-8-14-46(51(45)43-25-33(2)23-34(3)26-43)38-17-21-40(22-18-38)50-28-36(5)48(31-57-50)42-11-7-12-44(29-42)52(53,54)55/h6-31H,1-5H3
InChIKeyPMNZXXQFVAQHRS-UHFFFAOYSA-N
MW750.91 g/mol
LogP14.71
Rot. Bonds7

About 2-[4-[2-(3,5-dimethylphenyl)-3-[4-[4-methyl-5-(3-methylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine

2-[4-[2-(3,5-dimethylphenyl)-3-[4-[4-methyl-5-(3-methylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine (PubChem CID 148934306) has the molecular formula C52H41F3N2 and a molecular weight of 750.91 g/mol. Its IUPAC name is 2-[4-[2-(3,5-dimethylphenyl)-3-[4-[4-methyl-5-(3-methylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-[4-[2-(3,5-dimethylphenyl)-3-[4-[4-methyl-5-(3-methylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine
PubChem CID148934306
Molecular FormulaC52H41F3N2
Molecular Weight750.91 g/mol
Exact Mass750.32
IUPAC Name2-[4-[2-(3,5-dimethylphenyl)-3-[4-[4-methyl-5-(3-methylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine
SMILESCc1cccc(-c2cnc(-c3ccc(-c4cccc(-c5ccc(-c6cc(C)c(-c7cccc(C(F)(F)F)c7)cn6)cc5)c4-c4cc(C)cc(C)c4)cc3)cc2C)c1
InChIInChI=1S/C52H41F3N2/c1-32-9-6-10-41(24-32)47-30-56-49(27-35(47)4)39-19-15-37(16-20-39)45-13-8-14-46(51(45)43-25-33(2)23-34(3)26-43)38-17-21-40(22-18-38)50-28-36(5)48(31-57-50)42-11-7-12-44(29-42)52(53,54)55/h6-31H,1-5H3
InChIKeyPMNZXXQFVAQHRS-UHFFFAOYSA-N
XLogP14.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.91
LogP ≤ 514.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3,5-dimethylphenyl)-3-[4-[4-methyl-5-(3-methylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-[4-[2-(3,5-dimethylphenyl)-3-[4-[4-methyl-5-(3-methylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine (CID 148934306) is 2-[4-[2-(3,5-dimethylphenyl)-3-[4-[4-methyl-5-(3-methylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-[4-[2-(3,5-dimethylphenyl)-3-[4-[4-methyl-5-(3-methylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-[4-[2-(3,5-dimethylphenyl)-3-[4-[4-methyl-5-(3-methylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine is Cc1cccc(-c2cnc(-c3ccc(-c4cccc(-c5ccc(-c6cc(C)c(-c7cccc(C(F)(F)F)c7)cn6)cc5)c4-c4cc(C)cc(C)c4)cc3)cc2C)c1.
What is the InChIKey of 2-[4-[2-(3,5-dimethylphenyl)-3-[4-[4-methyl-5-(3-methylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine?
The InChIKey is PMNZXXQFVAQHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H41F3N2/c1-32-9-6-10-41(24-32)47-30-56-49(27-35(47)4)39-19-15-37(16-20-39)45-13-8-14-46(51(45)43-25-33(2)23-34(3)26-43)38-17-21-40(22-18-38)50-28-36(5)48(31-57-50)42-11-7-12-44(29-42)52(53,54)55/h6-31H,1-5H3.
What are the key properties of 2-[4-[2-(3,5-dimethylphenyl)-3-[4-[4-methyl-5-(3-methylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine?
2-[4-[2-(3,5-dimethylphenyl)-3-[4-[4-methyl-5-(3-methylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine has a molecular weight of 750.91 g/mol, XLogP of 14.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3,5-dimethylphenyl)-3-[4-[4-methyl-5-(3-methylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 148934306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).