diphenylphosphanylmethyl(diphenyl)phosphane;rhenium;trichloride;hydroxide

C25H23Cl3OP2Re-4 — CID 71678326

IUPACdiphenylphosphanylmethyl(diphenyl)phosphane;rhenium;trichloride;hydroxide
SMILES[Cl-].[Cl-].[Cl-].[OH-].[Re].c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22P2.3ClH.H2O.Re/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;;;;;/h1-20H,21H2;3*1H;1H2;/p-4
InChIKeyRILZISYMHGYSRV-UHFFFAOYSA-J
MW693.97 g/mol
LogP-3.96
Rot. Bonds6

About diphenylphosphanylmethyl(diphenyl)phosphane;rhenium;trichloride;hydroxide

diphenylphosphanylmethyl(diphenyl)phosphane;rhenium;trichloride;hydroxide (PubChem CID 71678326) has the molecular formula C25H23Cl3OP2Re-4 and a molecular weight of 693.97 g/mol. Its IUPAC name is diphenylphosphanylmethyl(diphenyl)phosphane;rhenium;trichloride;hydroxide.

Molecular Properties

Compound Namediphenylphosphanylmethyl(diphenyl)phosphane;rhenium;trichloride;hydroxide
PubChem CID71678326
Molecular FormulaC25H23Cl3OP2Re-4
Molecular Weight693.97 g/mol
Exact Mass692.99
IUPAC Namediphenylphosphanylmethyl(diphenyl)phosphane;rhenium;trichloride;hydroxide
SMILES[Cl-].[Cl-].[Cl-].[OH-].[Re].c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22P2.3ClH.H2O.Re/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;;;;;/h1-20H,21H2;3*1H;1H2;/p-4
InChIKeyRILZISYMHGYSRV-UHFFFAOYSA-J
XLogP-3.96
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500693.97
LogP ≤ 5-3.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

diphenylphosphanylmethyl(diphenyl)phosphane;ruthenium
CID 87761562
diphenylphosphanylmethyl(diphenyl)phosphane;sulfane
CID 18991635
C30H27ClP2Ru
CID 175687671
CID 11365296
CID 11365296
chlororuthenium;cyclopenta-1,3-diene;diphenylphosphanylmethyl(diphenyl)phosphane
CID 138393078
bis(diphenylphosphanylmethyl)-trimethylsilylphosphane
CID 578775
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
chlororuthenium(1+);cyclopenta-1,3-diene;diphenylphosphanylmethyl(diphenyl)phosphane
CID 84819438
diphenylphosphanylmethanethiol
CID 11230015
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421
2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(1+));bis(triphenylphosphane);dichloride
CID 11981349
rhenium;bis(triphenylphosphane);trichloride;hydrate
CID 131675016

Frequently Asked Questions

What is the IUPAC name of diphenylphosphanylmethyl(diphenyl)phosphane;rhenium;trichloride;hydroxide?
The IUPAC name of diphenylphosphanylmethyl(diphenyl)phosphane;rhenium;trichloride;hydroxide (CID 71678326) is diphenylphosphanylmethyl(diphenyl)phosphane;rhenium;trichloride;hydroxide.
What is the SMILES notation for diphenylphosphanylmethyl(diphenyl)phosphane;rhenium;trichloride;hydroxide?
The canonical SMILES for diphenylphosphanylmethyl(diphenyl)phosphane;rhenium;trichloride;hydroxide is [Cl-].[Cl-].[Cl-].[OH-].[Re].c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of diphenylphosphanylmethyl(diphenyl)phosphane;rhenium;trichloride;hydroxide?
The InChIKey is RILZISYMHGYSRV-UHFFFAOYSA-J. The full InChI is InChI=1S/C25H22P2.3ClH.H2O.Re/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;;;;;/h1-20H,21H2;3*1H;1H2;/p-4.
What are the key properties of diphenylphosphanylmethyl(diphenyl)phosphane;rhenium;trichloride;hydroxide?
diphenylphosphanylmethyl(diphenyl)phosphane;rhenium;trichloride;hydroxide has a molecular weight of 693.97 g/mol, XLogP of -3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphanylmethyl(diphenyl)phosphane;rhenium;trichloride;hydroxide is sourced from PubChem (CID 71678326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).