2-[2-(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine

C42H28F6N4 — CID 59609373

IUPAC2-[2-(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine
SMILESCc1ccccc1-c1cc(-c2cccc(-c3ncccc3C)n2)c(-c2ccccc2C(F)(F)F)cc1-c1cccc(-c2ncccc2C(F)(F)F)n1
InChIInChI=1S/C42H28F6N4/c1-25-11-3-4-13-27(25)29-23-32(36-17-7-19-37(51-36)39-26(2)12-9-21-49-39)30(28-14-5-6-15-33(28)41(43,44)45)24-31(29)35-18-8-20-38(52-35)40-34(42(46,47)48)16-10-22-50-40/h3-24H,1-2H3
InChIKeyPVBUJISEPGYLQP-UHFFFAOYSA-N
MW702.70 g/mol
LogP11.92
Rot. Bonds6

About 2-[2-(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine

2-[2-(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine (PubChem CID 59609373) has the molecular formula C42H28F6N4 and a molecular weight of 702.70 g/mol. Its IUPAC name is 2-[2-(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2-[2-(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine
PubChem CID59609373
Molecular FormulaC42H28F6N4
Molecular Weight702.70 g/mol
Exact Mass702.22
IUPAC Name2-[2-(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine
SMILESCc1ccccc1-c1cc(-c2cccc(-c3ncccc3C)n2)c(-c2ccccc2C(F)(F)F)cc1-c1cccc(-c2ncccc2C(F)(F)F)n1
InChIInChI=1S/C42H28F6N4/c1-25-11-3-4-13-27(25)29-23-32(36-17-7-19-37(51-36)39-26(2)12-9-21-49-39)30(28-14-5-6-15-33(28)41(43,44)45)24-31(29)35-18-8-20-38(52-35)40-34(42(46,47)48)16-10-22-50-40/h3-24H,1-2H3
InChIKeyPVBUJISEPGYLQP-UHFFFAOYSA-N
XLogP11.92
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.70
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine?
The IUPAC name of 2-[2-(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine (CID 59609373) is 2-[2-(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine.
What is the SMILES notation for 2-[2-(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine?
The canonical SMILES for 2-[2-(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine is Cc1ccccc1-c1cc(-c2cccc(-c3ncccc3C)n2)c(-c2ccccc2C(F)(F)F)cc1-c1cccc(-c2ncccc2C(F)(F)F)n1.
What is the InChIKey of 2-[2-(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine?
The InChIKey is PVBUJISEPGYLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28F6N4/c1-25-11-3-4-13-27(25)29-23-32(36-17-7-19-37(51-36)39-26(2)12-9-21-49-39)30(28-14-5-6-15-33(28)41(43,44)45)24-31(29)35-18-8-20-38(52-35)40-34(42(46,47)48)16-10-22-50-40/h3-24H,1-2H3.
What are the key properties of 2-[2-(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine?
2-[2-(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine has a molecular weight of 702.70 g/mol, XLogP of 11.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylphenyl)-4-[6-(3-methyl-2-pyridinyl)-2-pyridinyl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine is sourced from PubChem (CID 59609373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).