[1-[5-[1-(6-tert-butyl-3-pyridinyl)-2-methylpropan-2-yl]-2-pyridinyl]-2-methylpropan-2-yl]-diphenylphosphane

C34H41N2P — CID 138644243

IUPAC[1-[5-[1-(6-tert-butyl-3-pyridinyl)-2-methylpropan-2-yl]-2-pyridinyl]-2-methylpropan-2-yl]-diphenylphosphane
SMILESCC(C)(C)c1ccc(CC(C)(C)c2ccc(CC(C)(C)P(c3ccccc3)c3ccccc3)nc2)cn1
InChIInChI=1S/C34H41N2P/c1-32(2,3)31-21-18-26(24-36-31)22-33(4,5)27-19-20-28(35-25-27)23-34(6,7)37(29-14-10-8-11-15-29)30-16-12-9-13-17-30/h8-21,24-25H,22-23H2,1-7H3
InChIKeyFFXWBZLGLBGNLI-UHFFFAOYSA-N
MW508.69 g/mol
LogP7.75
Rot. Bonds8

About [1-[5-[1-(6-tert-butyl-3-pyridinyl)-2-methylpropan-2-yl]-2-pyridinyl]-2-methylpropan-2-yl]-diphenylphosphane

[1-[5-[1-(6-tert-butyl-3-pyridinyl)-2-methylpropan-2-yl]-2-pyridinyl]-2-methylpropan-2-yl]-diphenylphosphane (PubChem CID 138644243) has the molecular formula C34H41N2P and a molecular weight of 508.69 g/mol. Its IUPAC name is [1-[5-[1-(6-tert-butyl-3-pyridinyl)-2-methylpropan-2-yl]-2-pyridinyl]-2-methylpropan-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[1-[5-[1-(6-tert-butyl-3-pyridinyl)-2-methylpropan-2-yl]-2-pyridinyl]-2-methylpropan-2-yl]-diphenylphosphane
PubChem CID138644243
Molecular FormulaC34H41N2P
Molecular Weight508.69 g/mol
Exact Mass508.30
IUPAC Name[1-[5-[1-(6-tert-butyl-3-pyridinyl)-2-methylpropan-2-yl]-2-pyridinyl]-2-methylpropan-2-yl]-diphenylphosphane
SMILESCC(C)(C)c1ccc(CC(C)(C)c2ccc(CC(C)(C)P(c3ccccc3)c3ccccc3)nc2)cn1
InChIInChI=1S/C34H41N2P/c1-32(2,3)31-21-18-26(24-36-31)22-33(4,5)27-19-20-28(35-25-27)23-34(6,7)37(29-14-10-8-11-15-29)30-16-12-9-13-17-30/h8-21,24-25H,22-23H2,1-7H3
InChIKeyFFXWBZLGLBGNLI-UHFFFAOYSA-N
XLogP7.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.69
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-5-[2-methyl-2-(6-methyl-2-pyridinyl)propyl]pyridine
CID 139501596
2,5-ditert-butylpyridine;propane
CID 158805083
1-tert-butyl-4-phenylbenzene;1,4-ditert-butylbenzene;2,5-ditert-butylpyridine;2,2-dimethylpropane;methane
CID 159449755
2-tert-butyl-5-(2-phenylpropyl)pyridine
CID 170131220
2-(6-tert-butyl-3-pyridinyl)acetic acid
CID 58436565
2-tert-butyl-5-[3-methyl-3-(6-methyl-2-pyridinyl)butyl]pyridine
CID 170339178
1-(5-ethyl-2-pyridinyl)-2-(4-methylphenyl)propan-2-ol
CID 79740506
N-(4-tert-butylphenyl)-2,2-dimethylpropanamide;N-(5-tert-butyl-2-pyridinyl)-2,2-dimethylpropanamide;N-(6-tert-butyl-3-pyridinyl)-2,2-dimethylpropanamide;N-[4-(3,3-dimethylbutyl)phenyl]-2,2-dimethylpropanamide;N-[5-(3,3-dimethylbutyl)-2-pyridinyl]-2,2-dimethylpropanamide;N-[6-(3,3-dimethylbutyl)-3-pyridinyl]-2,2-dimethylpropanamide;N-[4-(2,2-dimethylpropyl)phenyl]-2,2-dimethylpropanamide;N-[5-(2,2-dimethylpropyl)-2-pyridinyl]-2,2-dimethylpropanamide;N-[6-(2,2-dimethylpropyl)-3-pyridinyl]-2,2-dimethylpropanamide
CID 158155279
2-(4-ethylphenyl)-1-(5-ethyl-2-pyridinyl)propan-2-ol
CID 79739586
1-tert-butyl-4-(2,2-dibenzyl-3-phenylpropyl)benzene
CID 101188647
ethane;1-(5-methyl-2-pyridinyl)-2-phenylpropan-2-ol
CID 144927641
2-phenyl-1-(5-phenyl-2-pyridinyl)propan-2-ol
CID 129158773

Frequently Asked Questions

What is the IUPAC name of [1-[5-[1-(6-tert-butyl-3-pyridinyl)-2-methylpropan-2-yl]-2-pyridinyl]-2-methylpropan-2-yl]-diphenylphosphane?
The IUPAC name of [1-[5-[1-(6-tert-butyl-3-pyridinyl)-2-methylpropan-2-yl]-2-pyridinyl]-2-methylpropan-2-yl]-diphenylphosphane (CID 138644243) is [1-[5-[1-(6-tert-butyl-3-pyridinyl)-2-methylpropan-2-yl]-2-pyridinyl]-2-methylpropan-2-yl]-diphenylphosphane.
What is the SMILES notation for [1-[5-[1-(6-tert-butyl-3-pyridinyl)-2-methylpropan-2-yl]-2-pyridinyl]-2-methylpropan-2-yl]-diphenylphosphane?
The canonical SMILES for [1-[5-[1-(6-tert-butyl-3-pyridinyl)-2-methylpropan-2-yl]-2-pyridinyl]-2-methylpropan-2-yl]-diphenylphosphane is CC(C)(C)c1ccc(CC(C)(C)c2ccc(CC(C)(C)P(c3ccccc3)c3ccccc3)nc2)cn1.
What is the InChIKey of [1-[5-[1-(6-tert-butyl-3-pyridinyl)-2-methylpropan-2-yl]-2-pyridinyl]-2-methylpropan-2-yl]-diphenylphosphane?
The InChIKey is FFXWBZLGLBGNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N2P/c1-32(2,3)31-21-18-26(24-36-31)22-33(4,5)27-19-20-28(35-25-27)23-34(6,7)37(29-14-10-8-11-15-29)30-16-12-9-13-17-30/h8-21,24-25H,22-23H2,1-7H3.
What are the key properties of [1-[5-[1-(6-tert-butyl-3-pyridinyl)-2-methylpropan-2-yl]-2-pyridinyl]-2-methylpropan-2-yl]-diphenylphosphane?
[1-[5-[1-(6-tert-butyl-3-pyridinyl)-2-methylpropan-2-yl]-2-pyridinyl]-2-methylpropan-2-yl]-diphenylphosphane has a molecular weight of 508.69 g/mol, XLogP of 7.75, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-[1-(6-tert-butyl-3-pyridinyl)-2-methylpropan-2-yl]-2-pyridinyl]-2-methylpropan-2-yl]-diphenylphosphane is sourced from PubChem (CID 138644243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).