[6-(diphenylphosphanylmethyl)-2-pyridinyl]methyl-diphenylphosphane

C31H27NP2 — CID 603400

IUPAC[6-(diphenylphosphanylmethyl)-2-pyridinyl]methyl-diphenylphosphane
SMILESc1ccc(P(Cc2cccc(CP(c3ccccc3)c3ccccc3)n2)c2ccccc2)cc1
InChIInChI=1S/C31H27NP2/c1-5-16-28(17-6-1)33(29-18-7-2-8-19-29)24-26-14-13-15-27(32-26)25-34(30-20-9-3-10-21-30)31-22-11-4-12-23-31/h1-23H,24-25H2
InChIKeyDTLGEJJDCXCJPC-UHFFFAOYSA-N
MW475.51 g/mol
LogP6.35
Rot. Bonds8

About [6-(diphenylphosphanylmethyl)-2-pyridinyl]methyl-diphenylphosphane

[6-(diphenylphosphanylmethyl)-2-pyridinyl]methyl-diphenylphosphane (PubChem CID 603400) has the molecular formula C31H27NP2 and a molecular weight of 475.51 g/mol. Its IUPAC name is [6-(diphenylphosphanylmethyl)-2-pyridinyl]methyl-diphenylphosphane.

Molecular Properties

Compound Name[6-(diphenylphosphanylmethyl)-2-pyridinyl]methyl-diphenylphosphane
PubChem CID603400
Molecular FormulaC31H27NP2
Molecular Weight475.51 g/mol
Exact Mass475.16
IUPAC Name[6-(diphenylphosphanylmethyl)-2-pyridinyl]methyl-diphenylphosphane
SMILESc1ccc(P(Cc2cccc(CP(c3ccccc3)c3ccccc3)n2)c2ccccc2)cc1
InChIInChI=1S/C31H27NP2/c1-5-16-28(17-6-1)33(29-18-7-2-8-19-29)24-26-14-13-15-27(32-26)25-34(30-20-9-3-10-21-30)31-22-11-4-12-23-31/h1-23H,24-25H2
InChIKeyDTLGEJJDCXCJPC-UHFFFAOYSA-N
XLogP6.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.51
LogP ≤ 56.35
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-(diphenylphosphanylmethyl)-2-pyridinyl]methyl-diphenylphosphane?
The IUPAC name of [6-(diphenylphosphanylmethyl)-2-pyridinyl]methyl-diphenylphosphane (CID 603400) is [6-(diphenylphosphanylmethyl)-2-pyridinyl]methyl-diphenylphosphane.
What is the SMILES notation for [6-(diphenylphosphanylmethyl)-2-pyridinyl]methyl-diphenylphosphane?
The canonical SMILES for [6-(diphenylphosphanylmethyl)-2-pyridinyl]methyl-diphenylphosphane is c1ccc(P(Cc2cccc(CP(c3ccccc3)c3ccccc3)n2)c2ccccc2)cc1.
What is the InChIKey of [6-(diphenylphosphanylmethyl)-2-pyridinyl]methyl-diphenylphosphane?
The InChIKey is DTLGEJJDCXCJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27NP2/c1-5-16-28(17-6-1)33(29-18-7-2-8-19-29)24-26-14-13-15-27(32-26)25-34(30-20-9-3-10-21-30)31-22-11-4-12-23-31/h1-23H,24-25H2.
What are the key properties of [6-(diphenylphosphanylmethyl)-2-pyridinyl]methyl-diphenylphosphane?
[6-(diphenylphosphanylmethyl)-2-pyridinyl]methyl-diphenylphosphane has a molecular weight of 475.51 g/mol, XLogP of 6.35, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(diphenylphosphanylmethyl)-2-pyridinyl]methyl-diphenylphosphane is sourced from PubChem (CID 603400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).