2,6-bis(3,5-ditert-butylphenyl)pyridine

C33H45N — CID 102450802

IUPAC2,6-bis(3,5-ditert-butylphenyl)pyridine
SMILESCC(C)(C)c1cc(-c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)n2)cc(C(C)(C)C)c1
InChIInChI=1S/C33H45N/c1-30(2,3)24-16-22(17-25(20-24)31(4,5)6)28-14-13-15-29(34-28)23-18-26(32(7,8)9)21-27(19-23)33(10,11)12/h13-21H,1-12H3
InChIKeyJFZOKHVSYJANRY-UHFFFAOYSA-N
MW455.73 g/mol
LogP9.61
Rot. Bonds2

About 2,6-bis(3,5-ditert-butylphenyl)pyridine

2,6-bis(3,5-ditert-butylphenyl)pyridine (PubChem CID 102450802) has the molecular formula C33H45N and a molecular weight of 455.73 g/mol. Its IUPAC name is 2,6-bis(3,5-ditert-butylphenyl)pyridine.

Molecular Properties

Compound Name2,6-bis(3,5-ditert-butylphenyl)pyridine
PubChem CID102450802
Molecular FormulaC33H45N
Molecular Weight455.73 g/mol
Exact Mass455.36
IUPAC Name2,6-bis(3,5-ditert-butylphenyl)pyridine
SMILESCC(C)(C)c1cc(-c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)n2)cc(C(C)(C)C)c1
InChIInChI=1S/C33H45N/c1-30(2,3)24-16-22(17-25(20-24)31(4,5)6)28-14-13-15-29(34-28)23-18-26(32(7,8)9)21-27(19-23)33(10,11)12/h13-21H,1-12H3
InChIKeyJFZOKHVSYJANRY-UHFFFAOYSA-N
XLogP9.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.73
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-bis(3,5-ditert-butylphenyl)-4-[3-(3,5-ditert-butylphenyl)phenyl]pyridine
CID 158776807
2-chloro-4,6-bis(3,5-ditert-butylphenyl)pyrimidine
CID 157322208
2,4-bis(3,5-ditert-butylphenyl)-6-[3-(3,5-ditert-butylphenyl)phenyl]-1,3,5-triazine
CID 157308201
[4-[6-[4-(3,5-ditert-butylbenzoyl)oxyphenyl]-2-pyridinyl]phenyl] 3,5-ditert-butylbenzoate
CID 3094932
2-bromo-6-(3,5-ditert-butylphenyl)pyridine;2-butyl-6-(3,5-ditert-butylphenyl)pyridine;propan-1-amine
CID 159710261
2-(3-tert-butyl-5-methylphenyl)quinoline
CID 146511822
2-[3-[4,6-bis[3-(3,5-ditert-butylphenyl)phenyl]-2-pyridinyl]phenyl]pyrazine
CID 164834142
4,9,23,28-tetrakis(4-tert-butylphenyl)-16-[6-(3,5-ditert-butylphenyl)-2-pyridinyl]-13,19-diaza-1-boranonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7(12),8,10,14,16,18(31),20(25),21,23,26(32),27,29-pentadecaene
CID 169047998
4-(3,5-ditert-butylphenyl)-2-naphthalen-2-yl-6-pyridin-2-ylpyridine
CID 132607748
alumane;1,3-ditert-butylbenzene
CID 174392215
chloro-tris[3-(3,5-ditert-butylphenyl)phenyl]silane
CID 88962392
1-tert-butyl-3-(3-tert-butylphenyl)benzene;ethane
CID 159548907

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3,5-ditert-butylphenyl)pyridine?
The IUPAC name of 2,6-bis(3,5-ditert-butylphenyl)pyridine (CID 102450802) is 2,6-bis(3,5-ditert-butylphenyl)pyridine.
What is the SMILES notation for 2,6-bis(3,5-ditert-butylphenyl)pyridine?
The canonical SMILES for 2,6-bis(3,5-ditert-butylphenyl)pyridine is CC(C)(C)c1cc(-c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)n2)cc(C(C)(C)C)c1.
What is the InChIKey of 2,6-bis(3,5-ditert-butylphenyl)pyridine?
The InChIKey is JFZOKHVSYJANRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45N/c1-30(2,3)24-16-22(17-25(20-24)31(4,5)6)28-14-13-15-29(34-28)23-18-26(32(7,8)9)21-27(19-23)33(10,11)12/h13-21H,1-12H3.
What are the key properties of 2,6-bis(3,5-ditert-butylphenyl)pyridine?
2,6-bis(3,5-ditert-butylphenyl)pyridine has a molecular weight of 455.73 g/mol, XLogP of 9.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(3,5-ditert-butylphenyl)pyridine is sourced from PubChem (CID 102450802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).