5-[1-[3,5-bis[2-methyl-2-[6-(4-methylphenyl)-3-pyridinyl]propyl]phenyl]-2-methylpropan-2-yl]-2,4-diphenylpyridine

C59H59N3 — CID 171404958

IUPAC5-[1-[3,5-bis[2-methyl-2-[6-(4-methylphenyl)-3-pyridinyl]propyl]phenyl]-2-methylpropan-2-yl]-2,4-diphenylpyridine
SMILESCc1ccc(-c2ccc(C(C)(C)Cc3cc(CC(C)(C)c4ccc(-c5ccc(C)cc5)nc4)cc(CC(C)(C)c4cnc(-c5ccccc5)cc4-c4ccccc4)c3)cn2)cc1
InChIInChI=1S/C59H59N3/c1-41-19-23-48(24-20-41)54-29-27-50(38-60-54)57(3,4)35-43-31-44(36-58(5,6)51-28-30-55(61-39-51)49-25-21-42(2)22-26-49)33-45(32-43)37-59(7,8)53-40-62-56(47-17-13-10-14-18-47)34-52(53)46-15-11-9-12-16-46/h9-34,38-40H,35-37H2,1-8H3
InChIKeyKAPXUSQBPOWGOJ-UHFFFAOYSA-N
MW810.14 g/mol
LogP14.72
Rot. Bonds13

About 5-[1-[3,5-bis[2-methyl-2-[6-(4-methylphenyl)-3-pyridinyl]propyl]phenyl]-2-methylpropan-2-yl]-2,4-diphenylpyridine

5-[1-[3,5-bis[2-methyl-2-[6-(4-methylphenyl)-3-pyridinyl]propyl]phenyl]-2-methylpropan-2-yl]-2,4-diphenylpyridine (PubChem CID 171404958) has the molecular formula C59H59N3 and a molecular weight of 810.14 g/mol. Its IUPAC name is 5-[1-[3,5-bis[2-methyl-2-[6-(4-methylphenyl)-3-pyridinyl]propyl]phenyl]-2-methylpropan-2-yl]-2,4-diphenylpyridine.

Molecular Properties

Compound Name5-[1-[3,5-bis[2-methyl-2-[6-(4-methylphenyl)-3-pyridinyl]propyl]phenyl]-2-methylpropan-2-yl]-2,4-diphenylpyridine
PubChem CID171404958
Molecular FormulaC59H59N3
Molecular Weight810.14 g/mol
Exact Mass809.47
IUPAC Name5-[1-[3,5-bis[2-methyl-2-[6-(4-methylphenyl)-3-pyridinyl]propyl]phenyl]-2-methylpropan-2-yl]-2,4-diphenylpyridine
SMILESCc1ccc(-c2ccc(C(C)(C)Cc3cc(CC(C)(C)c4ccc(-c5ccc(C)cc5)nc4)cc(CC(C)(C)c4cnc(-c5ccccc5)cc4-c4ccccc4)c3)cn2)cc1
InChIInChI=1S/C59H59N3/c1-41-19-23-48(24-20-41)54-29-27-50(38-60-54)57(3,4)35-43-31-44(36-58(5,6)51-28-30-55(61-39-51)49-25-21-42(2)22-26-49)33-45(32-43)37-59(7,8)53-40-62-56(47-17-13-10-14-18-47)34-52(53)46-15-11-9-12-16-46/h9-34,38-40H,35-37H2,1-8H3
InChIKeyKAPXUSQBPOWGOJ-UHFFFAOYSA-N
XLogP14.72
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.14
LogP ≤ 514.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-4-(2,3-dihydro-1H-inden-5-yl)-2-phenylpyridine
CID 171405020
2-[4-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]phenyl]-4-(4-cyclohexylphenyl)-5-(trideuteriomethyl)pyridine
CID 171404969
2,2-dimethylpropane;5-methyl-2-phenylpyridine
CID 143955006
5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-2-dibenzofuran-3-ylpyridine
CID 171404793
ethane;4-methyl-2-(4-methylphenyl)-5-phenylpyridine
CID 142296902
5-methyl-4-(2-methylbutan-2-yl)-2-phenylpyridine
CID 167209121
2-phenyl-5-(2-phenylpropan-2-yl)pyridine
CID 162707212
5-tert-butyl-2-phenyl-4-triphenylen-2-ylpyridine
CID 170520847
5-tert-butyl-2-[4-(trideuteriomethyl)phenyl]pyridine
CID 157182456
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]ethyl]-2-phenyl-4-(4-phenylphenyl)pyridine
CID 177269899
4-(2-methylpentan-2-yl)-2-[4-[2-[3-[2-[4-[5-(2-methylpentan-2-yl)-2-pyridinyl]phenyl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 153320023
5-[2-[3,5-bis[2-methyl-2-(6-phenyl-3-pyridinyl)propyl]phenyl]-1,1,2,2-tetradeuterioethyl]-2-naphtho[1,2-b][1]benzofuran-10-yl-4-(trideuteriomethyl)pyridine
CID 171405197

Frequently Asked Questions

What is the IUPAC name of 5-[1-[3,5-bis[2-methyl-2-[6-(4-methylphenyl)-3-pyridinyl]propyl]phenyl]-2-methylpropan-2-yl]-2,4-diphenylpyridine?
The IUPAC name of 5-[1-[3,5-bis[2-methyl-2-[6-(4-methylphenyl)-3-pyridinyl]propyl]phenyl]-2-methylpropan-2-yl]-2,4-diphenylpyridine (CID 171404958) is 5-[1-[3,5-bis[2-methyl-2-[6-(4-methylphenyl)-3-pyridinyl]propyl]phenyl]-2-methylpropan-2-yl]-2,4-diphenylpyridine.
What is the SMILES notation for 5-[1-[3,5-bis[2-methyl-2-[6-(4-methylphenyl)-3-pyridinyl]propyl]phenyl]-2-methylpropan-2-yl]-2,4-diphenylpyridine?
The canonical SMILES for 5-[1-[3,5-bis[2-methyl-2-[6-(4-methylphenyl)-3-pyridinyl]propyl]phenyl]-2-methylpropan-2-yl]-2,4-diphenylpyridine is Cc1ccc(-c2ccc(C(C)(C)Cc3cc(CC(C)(C)c4ccc(-c5ccc(C)cc5)nc4)cc(CC(C)(C)c4cnc(-c5ccccc5)cc4-c4ccccc4)c3)cn2)cc1.
What is the InChIKey of 5-[1-[3,5-bis[2-methyl-2-[6-(4-methylphenyl)-3-pyridinyl]propyl]phenyl]-2-methylpropan-2-yl]-2,4-diphenylpyridine?
The InChIKey is KAPXUSQBPOWGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H59N3/c1-41-19-23-48(24-20-41)54-29-27-50(38-60-54)57(3,4)35-43-31-44(36-58(5,6)51-28-30-55(61-39-51)49-25-21-42(2)22-26-49)33-45(32-43)37-59(7,8)53-40-62-56(47-17-13-10-14-18-47)34-52(53)46-15-11-9-12-16-46/h9-34,38-40H,35-37H2,1-8H3.
What are the key properties of 5-[1-[3,5-bis[2-methyl-2-[6-(4-methylphenyl)-3-pyridinyl]propyl]phenyl]-2-methylpropan-2-yl]-2,4-diphenylpyridine?
5-[1-[3,5-bis[2-methyl-2-[6-(4-methylphenyl)-3-pyridinyl]propyl]phenyl]-2-methylpropan-2-yl]-2,4-diphenylpyridine has a molecular weight of 810.14 g/mol, XLogP of 14.72, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3,5-bis[2-methyl-2-[6-(4-methylphenyl)-3-pyridinyl]propyl]phenyl]-2-methylpropan-2-yl]-2,4-diphenylpyridine is sourced from PubChem (CID 171404958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).