[bromo-(2,3-dibromophenyl)-diphenyl-λ5-phosphanyl]oxy-triphenylphosphanium;molybdenum

C36H28Br3MoOP2+ — CID 71372088

IUPAC[bromo-(2,3-dibromophenyl)-diphenyl-λ5-phosphanyl]oxy-triphenylphosphanium;molybdenum
SMILESBrc1cccc(P(Br)(O[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c1Br.[Mo]
InChIInChI=1S/C36H28Br3OP2.Mo/c37-34-27-16-28-35(36(34)38)42(39,32-23-12-4-13-24-32,33-25-14-5-15-26-33)40-41(29-17-6-1-7-18-29,30-19-8-2-9-20-30)31-21-10-3-11-22-31;/h1-28H;/q+1;
InChIKeyBKIUYXKQROMVCS-UHFFFAOYSA-N
MW874.22 g/mol
LogP9.19
Rot. Bonds8

About [bromo-(2,3-dibromophenyl)-diphenyl-λ5-phosphanyl]oxy-triphenylphosphanium;molybdenum

[bromo-(2,3-dibromophenyl)-diphenyl-λ5-phosphanyl]oxy-triphenylphosphanium;molybdenum (PubChem CID 71372088) has the molecular formula C36H28Br3MoOP2+ and a molecular weight of 874.22 g/mol. Its IUPAC name is [bromo-(2,3-dibromophenyl)-diphenyl-λ5-phosphanyl]oxy-triphenylphosphanium;molybdenum.

Molecular Properties

Compound Name[bromo-(2,3-dibromophenyl)-diphenyl-λ5-phosphanyl]oxy-triphenylphosphanium;molybdenum
PubChem CID71372088
Molecular FormulaC36H28Br3MoOP2+
Molecular Weight874.22 g/mol
Exact Mass872.82
IUPAC Name[bromo-(2,3-dibromophenyl)-diphenyl-λ5-phosphanyl]oxy-triphenylphosphanium;molybdenum
SMILESBrc1cccc(P(Br)(O[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c1Br.[Mo]
InChIInChI=1S/C36H28Br3OP2.Mo/c37-34-27-16-28-35(36(34)38)42(39,32-23-12-4-13-24-32,33-25-14-5-15-26-33)40-41(29-17-6-1-7-18-29,30-19-8-2-9-20-30)31-21-10-3-11-22-31;/h1-28H;/q+1;
InChIKeyBKIUYXKQROMVCS-UHFFFAOYSA-N
XLogP9.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500874.22
LogP ≤ 59.19
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 [bromo-(2,3-dibromophenyl)-diphenyl-λ5-phosphanyl]oxy-triphenylphosphanium;molybdenum?
The IUPAC name of [bromo-(2,3-dibromophenyl)-diphenyl-λ5-phosphanyl]oxy-triphenylphosphanium;molybdenum (CID 71372088) is [bromo-(2,3-dibromophenyl)-diphenyl-λ5-phosphanyl]oxy-triphenylphosphanium;molybdenum.
What is the SMILES notation for [bromo-(2,3-dibromophenyl)-diphenyl-λ5-phosphanyl]oxy-triphenylphosphanium;molybdenum?
The canonical SMILES for [bromo-(2,3-dibromophenyl)-diphenyl-λ5-phosphanyl]oxy-triphenylphosphanium;molybdenum is Brc1cccc(P(Br)(O[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c1Br.[Mo].
What is the InChIKey of [bromo-(2,3-dibromophenyl)-diphenyl-λ5-phosphanyl]oxy-triphenylphosphanium;molybdenum?
The InChIKey is BKIUYXKQROMVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28Br3OP2.Mo/c37-34-27-16-28-35(36(34)38)42(39,32-23-12-4-13-24-32,33-25-14-5-15-26-33)40-41(29-17-6-1-7-18-29,30-19-8-2-9-20-30)31-21-10-3-11-22-31;/h1-28H;/q+1;.
What are the key properties of [bromo-(2,3-dibromophenyl)-diphenyl-λ5-phosphanyl]oxy-triphenylphosphanium;molybdenum?
[bromo-(2,3-dibromophenyl)-diphenyl-λ5-phosphanyl]oxy-triphenylphosphanium;molybdenum has a molecular weight of 874.22 g/mol, XLogP of 9.19, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [bromo-(2,3-dibromophenyl)-diphenyl-λ5-phosphanyl]oxy-triphenylphosphanium;molybdenum is sourced from PubChem (CID 71372088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).