2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-6-phenyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine

C55H58N2O — CID 157181890

IUPAC2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-6-phenyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine
SMILESCOc1ccccc1-c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(-c2cccc(-c3cc(-c4c(C)cc(C(C)(C)C)cc4C)cc(-c4ccccc4)n3)c2)n1
InChIInChI=1S/C55H58N2O/c1-35-25-43(53(3,4)5)26-36(2)52(35)42-32-47(37-19-14-13-15-20-37)56-49(33-42)39-22-18-21-38(27-39)48-30-41(31-50(57-48)46-23-16-17-24-51(46)58-12)40-28-44(54(6,7)8)34-45(29-40)55(9,10)11/h13-34H,1-12H3
InChIKeyMXZDFSVYUXIYIJ-UHFFFAOYSA-N
MW763.08 g/mol
LogP15.00
Rot. Bonds7

About 2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-6-phenyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine

2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-6-phenyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine (PubChem CID 157181890) has the molecular formula C55H58N2O and a molecular weight of 763.08 g/mol. Its IUPAC name is 2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-6-phenyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine.

Molecular Properties

Compound Name2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-6-phenyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine
PubChem CID157181890
Molecular FormulaC55H58N2O
Molecular Weight763.08 g/mol
Exact Mass762.45
IUPAC Name2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-6-phenyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine
SMILESCOc1ccccc1-c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(-c2cccc(-c3cc(-c4c(C)cc(C(C)(C)C)cc4C)cc(-c4ccccc4)n3)c2)n1
InChIInChI=1S/C55H58N2O/c1-35-25-43(53(3,4)5)26-36(2)52(35)42-32-47(37-19-14-13-15-20-37)56-49(33-42)39-22-18-21-38(27-39)48-30-41(31-50(57-48)46-23-16-17-24-51(46)58-12)40-28-44(54(6,7)8)34-45(29-40)55(9,10)11/h13-34H,1-12H3
InChIKeyMXZDFSVYUXIYIJ-UHFFFAOYSA-N
XLogP15.00
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.08
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine
CID 159470077
2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-(2-methoxyphenyl)-4-(2-phenylphenyl)pyridine
CID 167252790
1-[2-[3-[4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)-2-pyridinyl]phenyl]-4-pyridinyl]-9-phenylcarbazole
CID 168803338
N-[4-[4-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]-4-methyl-N-phenylaniline
CID 146337191
2,6-bis(3,5-ditert-butylphenyl)-4-[3-(3,5-ditert-butylphenyl)phenyl]pyridine
CID 158776807
2-(2-methoxyphenyl)-6-(6-phenyl-2-pyridinyl)pyridine
CID 23135803
2-[3-[4-(5-bromothiophen-2-yl)-6-methyl-2-pyridinyl]phenyl]-6-(2-methoxyphenyl)-4-phenylpyridine
CID 170419820
2-[4-(3,5-ditert-butylphenyl)-6-[3-(4-methyl-2-pyridinyl)phenyl]-2-pyridinyl]phenol
CID 167332357
5-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]-N-(4-methylphenyl)-2-(4-phenylphenyl)aniline
CID 142449372
2-(4,6-diphenyl-2-pyridinyl)-6-[3-(4-methylphenyl)phenyl]-4-phenylpyridine
CID 143267281
4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]-2,6-bis(2-phenylphenyl)pyridine
CID 58693115
2-[3-[4-[3,5-bis[2-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-6-methyl-4-pyridinyl]phenyl]-6-methyl-2-pyridinyl]phenyl]-4,6-diphenylpyridine;4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-2-[3-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-phenyl-2-pyridinyl]phenyl]-6-phenylpyridine;2-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-4-[3-[2-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine
CID 160789301

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-6-phenyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine?
The IUPAC name of 2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-6-phenyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine (CID 157181890) is 2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-6-phenyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine.
What is the SMILES notation for 2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-6-phenyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine?
The canonical SMILES for 2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-6-phenyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine is COc1ccccc1-c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(-c2cccc(-c3cc(-c4c(C)cc(C(C)(C)C)cc4C)cc(-c4ccccc4)n3)c2)n1.
What is the InChIKey of 2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-6-phenyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine?
The InChIKey is MXZDFSVYUXIYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H58N2O/c1-35-25-43(53(3,4)5)26-36(2)52(35)42-32-47(37-19-14-13-15-20-37)56-49(33-42)39-22-18-21-38(27-39)48-30-41(31-50(57-48)46-23-16-17-24-51(46)58-12)40-28-44(54(6,7)8)34-45(29-40)55(9,10)11/h13-34H,1-12H3.
What are the key properties of 2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-6-phenyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine?
2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-6-phenyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine has a molecular weight of 763.08 g/mol, XLogP of 15.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-6-phenyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine is sourced from PubChem (CID 157181890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).