[chloro(diphenyl)-λ5-phosphanylidene]-ditert-butylphosphoryl-oxidophosphanium

C20H28ClO2P3 — CID 102003483

IUPAC[chloro(diphenyl)-λ5-phosphanylidene]-ditert-butylphosphoryl-oxidophosphanium
SMILESCC(C)(C)P(=O)([P+]([O-])=P(Cl)(c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H28ClO2P3/c1-19(2,3)26(23,20(4,5)6)24(22)25(21,17-13-9-7-10-14-17)18-15-11-8-12-16-18/h7-16H,1-6H3
InChIKeyVPQYJEOCMHWMJY-UHFFFAOYSA-N
MW428.82 g/mol
LogP6.36
Rot. Bonds3

About [chloro(diphenyl)-λ5-phosphanylidene]-ditert-butylphosphoryl-oxidophosphanium

[chloro(diphenyl)-λ5-phosphanylidene]-ditert-butylphosphoryl-oxidophosphanium (PubChem CID 102003483) has the molecular formula C20H28ClO2P3 and a molecular weight of 428.82 g/mol. Its IUPAC name is [chloro(diphenyl)-λ5-phosphanylidene]-ditert-butylphosphoryl-oxidophosphanium.

Molecular Properties

Compound Name[chloro(diphenyl)-λ5-phosphanylidene]-ditert-butylphosphoryl-oxidophosphanium
PubChem CID102003483
Molecular FormulaC20H28ClO2P3
Molecular Weight428.82 g/mol
Exact Mass428.10
IUPAC Name[chloro(diphenyl)-λ5-phosphanylidene]-ditert-butylphosphoryl-oxidophosphanium
SMILESCC(C)(C)P(=O)([P+]([O-])=P(Cl)(c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H28ClO2P3/c1-19(2,3)26(23,20(4,5)6)24(22)25(21,17-13-9-7-10-14-17)18-15-11-8-12-16-18/h7-16H,1-6H3
InChIKeyVPQYJEOCMHWMJY-UHFFFAOYSA-N
XLogP6.36
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.82
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [chloro(diphenyl)-λ5-phosphanylidene]-ditert-butylphosphoryl-oxidophosphanium?
The IUPAC name of [chloro(diphenyl)-λ5-phosphanylidene]-ditert-butylphosphoryl-oxidophosphanium (CID 102003483) is [chloro(diphenyl)-λ5-phosphanylidene]-ditert-butylphosphoryl-oxidophosphanium.
What is the SMILES notation for [chloro(diphenyl)-λ5-phosphanylidene]-ditert-butylphosphoryl-oxidophosphanium?
The canonical SMILES for [chloro(diphenyl)-λ5-phosphanylidene]-ditert-butylphosphoryl-oxidophosphanium is CC(C)(C)P(=O)([P+]([O-])=P(Cl)(c1ccccc1)c1ccccc1)C(C)(C)C.
What is the InChIKey of [chloro(diphenyl)-λ5-phosphanylidene]-ditert-butylphosphoryl-oxidophosphanium?
The InChIKey is VPQYJEOCMHWMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClO2P3/c1-19(2,3)26(23,20(4,5)6)24(22)25(21,17-13-9-7-10-14-17)18-15-11-8-12-16-18/h7-16H,1-6H3.
What are the key properties of [chloro(diphenyl)-λ5-phosphanylidene]-ditert-butylphosphoryl-oxidophosphanium?
[chloro(diphenyl)-λ5-phosphanylidene]-ditert-butylphosphoryl-oxidophosphanium has a molecular weight of 428.82 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(diphenyl)-λ5-phosphanylidene]-ditert-butylphosphoryl-oxidophosphanium is sourced from PubChem (CID 102003483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).