[[6-[bis(propan-2-ylphosphanyl)methyl]-2-pyridinyl]-propan-2-ylphosphanylmethyl]-propan-2-ylphosphane

C19H37NP4 — CID 101416785

IUPAC[[6-[bis(propan-2-ylphosphanyl)methyl]-2-pyridinyl]-propan-2-ylphosphanylmethyl]-propan-2-ylphosphane
SMILESCC(C)PC(PC(C)C)c1cccc(C(PC(C)C)PC(C)C)n1
InChIInChI=1S/C19H37NP4/c1-12(2)21-18(22-13(3)4)16-10-9-11-17(20-16)19(23-14(5)6)24-15(7)8/h9-15,18-19,21-24H,1-8H3
InChIKeyLMVOOLSUNZWAGM-UHFFFAOYSA-N
MW403.41 g/mol
LogP7.43
Rot. Bonds10

About [[6-[bis(propan-2-ylphosphanyl)methyl]-2-pyridinyl]-propan-2-ylphosphanylmethyl]-propan-2-ylphosphane

[[6-[bis(propan-2-ylphosphanyl)methyl]-2-pyridinyl]-propan-2-ylphosphanylmethyl]-propan-2-ylphosphane (PubChem CID 101416785) has the molecular formula C19H37NP4 and a molecular weight of 403.41 g/mol. Its IUPAC name is [[6-[bis(propan-2-ylphosphanyl)methyl]-2-pyridinyl]-propan-2-ylphosphanylmethyl]-propan-2-ylphosphane.

Molecular Properties

Compound Name[[6-[bis(propan-2-ylphosphanyl)methyl]-2-pyridinyl]-propan-2-ylphosphanylmethyl]-propan-2-ylphosphane
PubChem CID101416785
Molecular FormulaC19H37NP4
Molecular Weight403.41 g/mol
Exact Mass403.19
IUPAC Name[[6-[bis(propan-2-ylphosphanyl)methyl]-2-pyridinyl]-propan-2-ylphosphanylmethyl]-propan-2-ylphosphane
SMILESCC(C)PC(PC(C)C)c1cccc(C(PC(C)C)PC(C)C)n1
InChIInChI=1S/C19H37NP4/c1-12(2)21-18(22-13(3)4)16-10-9-11-17(20-16)19(23-14(5)6)24-15(7)8/h9-15,18-19,21-24H,1-8H3
InChIKeyLMVOOLSUNZWAGM-UHFFFAOYSA-N
XLogP7.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.41
LogP ≤ 57.43
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 [[6-[bis(propan-2-ylphosphanyl)methyl]-2-pyridinyl]-propan-2-ylphosphanylmethyl]-propan-2-ylphosphane?
The IUPAC name of [[6-[bis(propan-2-ylphosphanyl)methyl]-2-pyridinyl]-propan-2-ylphosphanylmethyl]-propan-2-ylphosphane (CID 101416785) is [[6-[bis(propan-2-ylphosphanyl)methyl]-2-pyridinyl]-propan-2-ylphosphanylmethyl]-propan-2-ylphosphane.
What is the SMILES notation for [[6-[bis(propan-2-ylphosphanyl)methyl]-2-pyridinyl]-propan-2-ylphosphanylmethyl]-propan-2-ylphosphane?
The canonical SMILES for [[6-[bis(propan-2-ylphosphanyl)methyl]-2-pyridinyl]-propan-2-ylphosphanylmethyl]-propan-2-ylphosphane is CC(C)PC(PC(C)C)c1cccc(C(PC(C)C)PC(C)C)n1.
What is the InChIKey of [[6-[bis(propan-2-ylphosphanyl)methyl]-2-pyridinyl]-propan-2-ylphosphanylmethyl]-propan-2-ylphosphane?
The InChIKey is LMVOOLSUNZWAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NP4/c1-12(2)21-18(22-13(3)4)16-10-9-11-17(20-16)19(23-14(5)6)24-15(7)8/h9-15,18-19,21-24H,1-8H3.
What are the key properties of [[6-[bis(propan-2-ylphosphanyl)methyl]-2-pyridinyl]-propan-2-ylphosphanylmethyl]-propan-2-ylphosphane?
[[6-[bis(propan-2-ylphosphanyl)methyl]-2-pyridinyl]-propan-2-ylphosphanylmethyl]-propan-2-ylphosphane has a molecular weight of 403.41 g/mol, XLogP of 7.43, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[6-[bis(propan-2-ylphosphanyl)methyl]-2-pyridinyl]-propan-2-ylphosphanylmethyl]-propan-2-ylphosphane is sourced from PubChem (CID 101416785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).