2-(4-fluorophenyl)-5-[2-[3-[3-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-fluorophenyl)-4-(trideuteriomethyl)-3-pyridinyl]ethyl]phenyl]ethyl]-4-(trideuteriomethyl)pyridine

C63H48F3N3 — CID 165148206

IUPAC2-(4-fluorophenyl)-5-[2-[3-[3-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-fluorophenyl)-4-(trideuteriomethyl)-3-pyridinyl]ethyl]phenyl]ethyl]-4-(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1cc(-c2ccc(F)cc2)ncc1CCc1cc(CCc2cnc(-c3ccc(F)cc3)cc2C([2H])([2H])[2H])cc(-c2cccc(F)c2-c2cnc(-c3ccccc3)cc2-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C63H48F3N3/c1-41-32-60(49-24-28-54(64)29-25-49)67-38-51(41)18-16-43-34-44(17-19-52-39-68-61(33-42(52)2)50-26-30-55(65)31-27-50)36-53(35-43)56-14-9-15-59(66)63(56)58-40-69-62(48-12-7-4-8-13-48)37-57(58)47-22-20-46(21-23-47)45-10-5-3-6-11-45/h3-15,20-40H,16-19H2,1-2H3/i1D3,2D3
InChIKeyKEKOQIXUDVEFOH-WFGJKAKNSA-N
MW910.13 g/mol
LogP16.15
Rot. Bonds15

About 2-(4-fluorophenyl)-5-[2-[3-[3-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-fluorophenyl)-4-(trideuteriomethyl)-3-pyridinyl]ethyl]phenyl]ethyl]-4-(trideuteriomethyl)pyridine

2-(4-fluorophenyl)-5-[2-[3-[3-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-fluorophenyl)-4-(trideuteriomethyl)-3-pyridinyl]ethyl]phenyl]ethyl]-4-(trideuteriomethyl)pyridine (PubChem CID 165148206) has the molecular formula C63H48F3N3 and a molecular weight of 910.13 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[2-[3-[3-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-fluorophenyl)-4-(trideuteriomethyl)-3-pyridinyl]ethyl]phenyl]ethyl]-4-(trideuteriomethyl)pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[2-[3-[3-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-fluorophenyl)-4-(trideuteriomethyl)-3-pyridinyl]ethyl]phenyl]ethyl]-4-(trideuteriomethyl)pyridine
PubChem CID165148206
Molecular FormulaC63H48F3N3
Molecular Weight910.13 g/mol
Exact Mass909.42
IUPAC Name2-(4-fluorophenyl)-5-[2-[3-[3-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-fluorophenyl)-4-(trideuteriomethyl)-3-pyridinyl]ethyl]phenyl]ethyl]-4-(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1cc(-c2ccc(F)cc2)ncc1CCc1cc(CCc2cnc(-c3ccc(F)cc3)cc2C([2H])([2H])[2H])cc(-c2cccc(F)c2-c2cnc(-c3ccccc3)cc2-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C63H48F3N3/c1-41-32-60(49-24-28-54(64)29-25-49)67-38-51(41)18-16-43-34-44(17-19-52-39-68-61(33-42(52)2)50-26-30-55(65)31-27-50)36-53(35-43)56-14-9-15-59(66)63(56)58-40-69-62(48-12-7-4-8-13-48)37-57(58)47-22-20-46(21-23-47)45-10-5-3-6-11-45/h3-15,20-40H,16-19H2,1-2H3/i1D3,2D3
InChIKeyKEKOQIXUDVEFOH-WFGJKAKNSA-N
XLogP16.15
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500910.13
LogP ≤ 516.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-5-[2-[3-[3-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-fluorophenyl)-4-(trideuteriomethyl)-3-pyridinyl]ethyl]phenyl]ethyl]-4-(trideuteriomethyl)pyridine with MolForge

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Related Compounds

5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]-4-fluorophenyl]-2-phenyl-4-(4-phenylphenyl)pyridine
CID 165148575
5-[2-[3,5-bis[2-[6-(4-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]ethyl]phenyl]-6-fluorophenyl]-4-dibenzothiophen-3-yl-2-phenylpyridine;iridium(3+)
CID 165149452
2-(2,4-difluorobenzene-6-id-1-yl)-5-[2-[3-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]ethyl]-5-[2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]-4-(trideuteriomethyl)pyridine;iridium(3+)
CID 164776236
5-(4-fluorophenyl)-4-methyl-2-(4-phenylphenyl)pyridine
CID 142322042
2-phenyl-5-[2-[3-[2-[6-[3-(4-phenylphenyl)phenyl]-3-pyridinyl]dibenzothiophen-3-yl]-5-[2-[6-phenyl-4-(trideuteriomethyl)-3-pyridinyl]ethyl]phenyl]ethyl]-4-(trideuteriomethyl)pyridine
CID 176729022
2-[4-[2-[3-chloro-5-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine
CID 134225954
2-(3-dibenzofuran-4-ylphenyl)-5-[2-[3-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-methyl-3-pyridinyl]ethyl]-5-[2-[6-(3-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-3-pyridinyl]phenyl]phenyl]ethyl]-4-methylpyridine
CID 165148841
16-[2-[3,5-bis[1,1,2,2-tetradeuterio-2-[6-(2,4-difluorophenyl)-4-(trideuteriomethyl)-3-pyridinyl]ethyl]phenyl]-4-fluorophenyl]-17-(4-phenylphenyl)-3,14-diaza-2-azoniatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2,4,7,9,11,13,15-octaene
CID 164805348
9-[4-[5-[2-[3,5-bis[2-[6-(4-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]ethyl]phenyl]-4-fluorophenyl]-2-phenyl-4-pyridinyl]phenyl]carbazole;iridium(3+)
CID 165148663
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]ethyl]-2-phenyl-4-(4-phenylphenyl)pyridine
CID 177269899
2-phenyl-5-[2-[3-[2-[6-[3-(3-phenylphenyl)phenyl]-4-(trideuteriomethyl)-3-pyridinyl]phenyl]-5-[2-[6-phenyl-4-(trideuteriomethyl)-3-pyridinyl]phenyl]phenyl]phenyl]-4-(trideuteriomethyl)pyridine
CID 153458053
5-[2-[3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-2-(3-tert-butylbenzene-6-id-1-yl)-4-(4-phenylphenyl)pyridine;iridium(3+)
CID 164717263

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[2-[3-[3-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-fluorophenyl)-4-(trideuteriomethyl)-3-pyridinyl]ethyl]phenyl]ethyl]-4-(trideuteriomethyl)pyridine?
The IUPAC name of 2-(4-fluorophenyl)-5-[2-[3-[3-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-fluorophenyl)-4-(trideuteriomethyl)-3-pyridinyl]ethyl]phenyl]ethyl]-4-(trideuteriomethyl)pyridine (CID 165148206) is 2-(4-fluorophenyl)-5-[2-[3-[3-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-fluorophenyl)-4-(trideuteriomethyl)-3-pyridinyl]ethyl]phenyl]ethyl]-4-(trideuteriomethyl)pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[2-[3-[3-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-fluorophenyl)-4-(trideuteriomethyl)-3-pyridinyl]ethyl]phenyl]ethyl]-4-(trideuteriomethyl)pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-5-[2-[3-[3-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-fluorophenyl)-4-(trideuteriomethyl)-3-pyridinyl]ethyl]phenyl]ethyl]-4-(trideuteriomethyl)pyridine is [2H]C([2H])([2H])c1cc(-c2ccc(F)cc2)ncc1CCc1cc(CCc2cnc(-c3ccc(F)cc3)cc2C([2H])([2H])[2H])cc(-c2cccc(F)c2-c2cnc(-c3ccccc3)cc2-c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[2-[3-[3-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-fluorophenyl)-4-(trideuteriomethyl)-3-pyridinyl]ethyl]phenyl]ethyl]-4-(trideuteriomethyl)pyridine?
The InChIKey is KEKOQIXUDVEFOH-WFGJKAKNSA-N. The full InChI is InChI=1S/C63H48F3N3/c1-41-32-60(49-24-28-54(64)29-25-49)67-38-51(41)18-16-43-34-44(17-19-52-39-68-61(33-42(52)2)50-26-30-55(65)31-27-50)36-53(35-43)56-14-9-15-59(66)63(56)58-40-69-62(48-12-7-4-8-13-48)37-57(58)47-22-20-46(21-23-47)45-10-5-3-6-11-45/h3-15,20-40H,16-19H2,1-2H3/i1D3,2D3.
What are the key properties of 2-(4-fluorophenyl)-5-[2-[3-[3-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-fluorophenyl)-4-(trideuteriomethyl)-3-pyridinyl]ethyl]phenyl]ethyl]-4-(trideuteriomethyl)pyridine?
2-(4-fluorophenyl)-5-[2-[3-[3-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-fluorophenyl)-4-(trideuteriomethyl)-3-pyridinyl]ethyl]phenyl]ethyl]-4-(trideuteriomethyl)pyridine has a molecular weight of 910.13 g/mol, XLogP of 16.15, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[2-[3-[3-fluoro-2-[6-phenyl-4-(4-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-[6-(4-fluorophenyl)-4-(trideuteriomethyl)-3-pyridinyl]ethyl]phenyl]ethyl]-4-(trideuteriomethyl)pyridine is sourced from PubChem (CID 165148206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).