[2-[6-[1,3-bis(dimethylphosphanyl)-2-methylpropan-2-yl]-2-pyridinyl]-3-dimethylphosphanyl-2-methylpropyl]-dimethylphosphane

C21H41NP4 — CID 11510275

IUPAC[2-[6-[1,3-bis(dimethylphosphanyl)-2-methylpropan-2-yl]-2-pyridinyl]-3-dimethylphosphanyl-2-methylpropyl]-dimethylphosphane
SMILESCP(C)CC(C)(CP(C)C)c1cccc(C(C)(CP(C)C)CP(C)C)n1
InChIInChI=1S/C21H41NP4/c1-20(14-23(3)4,15-24(5)6)18-12-11-13-19(22-18)21(2,16-25(7)8)17-26(9)10/h11-13H,14-17H2,1-10H3
InChIKeyIYZJDENWMYQFDJ-UHFFFAOYSA-N
MW431.46 g/mol
LogP6.56
Rot. Bonds10

About [2-[6-[1,3-bis(dimethylphosphanyl)-2-methylpropan-2-yl]-2-pyridinyl]-3-dimethylphosphanyl-2-methylpropyl]-dimethylphosphane

[2-[6-[1,3-bis(dimethylphosphanyl)-2-methylpropan-2-yl]-2-pyridinyl]-3-dimethylphosphanyl-2-methylpropyl]-dimethylphosphane (PubChem CID 11510275) has the molecular formula C21H41NP4 and a molecular weight of 431.46 g/mol. Its IUPAC name is [2-[6-[1,3-bis(dimethylphosphanyl)-2-methylpropan-2-yl]-2-pyridinyl]-3-dimethylphosphanyl-2-methylpropyl]-dimethylphosphane.

Molecular Properties

Compound Name[2-[6-[1,3-bis(dimethylphosphanyl)-2-methylpropan-2-yl]-2-pyridinyl]-3-dimethylphosphanyl-2-methylpropyl]-dimethylphosphane
PubChem CID11510275
Molecular FormulaC21H41NP4
Molecular Weight431.46 g/mol
Exact Mass431.22
IUPAC Name[2-[6-[1,3-bis(dimethylphosphanyl)-2-methylpropan-2-yl]-2-pyridinyl]-3-dimethylphosphanyl-2-methylpropyl]-dimethylphosphane
SMILESCP(C)CC(C)(CP(C)C)c1cccc(C(C)(CP(C)C)CP(C)C)n1
InChIInChI=1S/C21H41NP4/c1-20(14-23(3)4,15-24(5)6)18-12-11-13-19(22-18)21(2,16-25(7)8)17-26(9)10/h11-13H,14-17H2,1-10H3
InChIKeyIYZJDENWMYQFDJ-UHFFFAOYSA-N
XLogP6.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.46
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[6-[1,3-bis(dimethylphosphanyl)-2-methylpropan-2-yl]-2-pyridinyl]-3-dimethylphosphanyl-2-methylpropyl]-dimethylphosphane?
The IUPAC name of [2-[6-[1,3-bis(dimethylphosphanyl)-2-methylpropan-2-yl]-2-pyridinyl]-3-dimethylphosphanyl-2-methylpropyl]-dimethylphosphane (CID 11510275) is [2-[6-[1,3-bis(dimethylphosphanyl)-2-methylpropan-2-yl]-2-pyridinyl]-3-dimethylphosphanyl-2-methylpropyl]-dimethylphosphane.
What is the SMILES notation for [2-[6-[1,3-bis(dimethylphosphanyl)-2-methylpropan-2-yl]-2-pyridinyl]-3-dimethylphosphanyl-2-methylpropyl]-dimethylphosphane?
The canonical SMILES for [2-[6-[1,3-bis(dimethylphosphanyl)-2-methylpropan-2-yl]-2-pyridinyl]-3-dimethylphosphanyl-2-methylpropyl]-dimethylphosphane is CP(C)CC(C)(CP(C)C)c1cccc(C(C)(CP(C)C)CP(C)C)n1.
What is the InChIKey of [2-[6-[1,3-bis(dimethylphosphanyl)-2-methylpropan-2-yl]-2-pyridinyl]-3-dimethylphosphanyl-2-methylpropyl]-dimethylphosphane?
The InChIKey is IYZJDENWMYQFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NP4/c1-20(14-23(3)4,15-24(5)6)18-12-11-13-19(22-18)21(2,16-25(7)8)17-26(9)10/h11-13H,14-17H2,1-10H3.
What are the key properties of [2-[6-[1,3-bis(dimethylphosphanyl)-2-methylpropan-2-yl]-2-pyridinyl]-3-dimethylphosphanyl-2-methylpropyl]-dimethylphosphane?
[2-[6-[1,3-bis(dimethylphosphanyl)-2-methylpropan-2-yl]-2-pyridinyl]-3-dimethylphosphanyl-2-methylpropyl]-dimethylphosphane has a molecular weight of 431.46 g/mol, XLogP of 6.56, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-[1,3-bis(dimethylphosphanyl)-2-methylpropan-2-yl]-2-pyridinyl]-3-dimethylphosphanyl-2-methylpropyl]-dimethylphosphane is sourced from PubChem (CID 11510275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).