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

C51H36F6N2 — CID 160557057

IUPAC6-[diphenyl-[6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2-(3-methylphenyl)-3-(4-methylphenyl)pyridine
SMILESCc1ccc(-c2ccc(C(c3ccccc3)(c3ccccc3)c3ccc(-c4ccc(C(F)(F)F)cc4)c(-c4cccc(C(F)(F)F)c4)n3)nc2-c2cccc(C)c2)cc1
InChIInChI=1S/C51H36F6N2/c1-33-19-21-35(22-20-33)43-27-29-45(58-47(43)37-12-9-11-34(2)31-37)49(39-14-5-3-6-15-39,40-16-7-4-8-17-40)46-30-28-44(36-23-25-41(26-24-36)50(52,53)54)48(59-46)38-13-10-18-42(32-38)51(55,56)57/h3-32H,1-2H3
InChIKeyKHFFPGRLUYNPJZ-UHFFFAOYSA-N
MW790.85 g/mol
LogP14.18
Rot. Bonds8

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

6-[diphenyl-[6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2-(3-methylphenyl)-3-(4-methylphenyl)pyridine (PubChem CID 160557057) has the molecular formula C51H36F6N2 and a molecular weight of 790.85 g/mol. Its IUPAC name is 6-[diphenyl-[6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2-(3-methylphenyl)-3-(4-methylphenyl)pyridine.

Molecular Properties

Compound Name6-[diphenyl-[6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2-(3-methylphenyl)-3-(4-methylphenyl)pyridine
PubChem CID160557057
Molecular FormulaC51H36F6N2
Molecular Weight790.85 g/mol
Exact Mass790.28
IUPAC Name6-[diphenyl-[6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2-(3-methylphenyl)-3-(4-methylphenyl)pyridine
SMILESCc1ccc(-c2ccc(C(c3ccccc3)(c3ccccc3)c3ccc(-c4ccc(C(F)(F)F)cc4)c(-c4cccc(C(F)(F)F)c4)n3)nc2-c2cccc(C)c2)cc1
InChIInChI=1S/C51H36F6N2/c1-33-19-21-35(22-20-33)43-27-29-45(58-47(43)37-12-9-11-34(2)31-37)49(39-14-5-3-6-15-39,40-16-7-4-8-17-40)46-30-28-44(36-23-25-41(26-24-36)50(52,53)54)48(59-46)38-13-10-18-42(32-38)51(55,56)57/h3-32H,1-2H3
InChIKeyKHFFPGRLUYNPJZ-UHFFFAOYSA-N
XLogP14.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.85
LogP ≤ 514.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
2-fluoro-6-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]pyridine
CID 133089838
1-methyl-4-(trifluoromethyl)benzene;toluene
CID 159876070
6-methyl-2-(6-methyl-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]pyridine
CID 163857045
5-methyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazole
CID 153289392
1-methyl-2-(3-methylphenyl)-4-(trifluoromethyl)benzene
CID 91161720
3,6-bis(2,4-dimethylphenyl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylphenyl)-6-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 160520902
[4-(3-methylphenyl)-2-phenyl-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 91926179
1-iodo-2-(3-methylphenyl)-4-(trifluoromethyl)benzene
CID 170835758
ethane;toluene;trifluoromethylbenzene
CID 161105309
3-iodo-6-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
CID 134626985
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(3-methylphenyl)carbazole
CID 161470259

Frequently Asked Questions

What is the IUPAC name of 6-[diphenyl-[6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2-(3-methylphenyl)-3-(4-methylphenyl)pyridine?
The IUPAC name of 6-[diphenyl-[6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2-(3-methylphenyl)-3-(4-methylphenyl)pyridine (CID 160557057) is 6-[diphenyl-[6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2-(3-methylphenyl)-3-(4-methylphenyl)pyridine.
What is the SMILES notation for 6-[diphenyl-[6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2-(3-methylphenyl)-3-(4-methylphenyl)pyridine?
The canonical SMILES for 6-[diphenyl-[6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2-(3-methylphenyl)-3-(4-methylphenyl)pyridine is Cc1ccc(-c2ccc(C(c3ccccc3)(c3ccccc3)c3ccc(-c4ccc(C(F)(F)F)cc4)c(-c4cccc(C(F)(F)F)c4)n3)nc2-c2cccc(C)c2)cc1.
What is the InChIKey of 6-[diphenyl-[6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2-(3-methylphenyl)-3-(4-methylphenyl)pyridine?
The InChIKey is KHFFPGRLUYNPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36F6N2/c1-33-19-21-35(22-20-33)43-27-29-45(58-47(43)37-12-9-11-34(2)31-37)49(39-14-5-3-6-15-39,40-16-7-4-8-17-40)46-30-28-44(36-23-25-41(26-24-36)50(52,53)54)48(59-46)38-13-10-18-42(32-38)51(55,56)57/h3-32H,1-2H3.
What are the key properties of 6-[diphenyl-[6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2-(3-methylphenyl)-3-(4-methylphenyl)pyridine?
6-[diphenyl-[6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2-(3-methylphenyl)-3-(4-methylphenyl)pyridine has a molecular weight of 790.85 g/mol, XLogP of 14.18, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[diphenyl-[6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methyl]-2-(3-methylphenyl)-3-(4-methylphenyl)pyridine is sourced from PubChem (CID 160557057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).