nitroxyl anion;trichlororhenium;bis(triphenylphosphanium)

C36H32Cl3NOP2Re+ — CID 6396803

IUPACnitroxyl anion;trichlororhenium;bis(triphenylphosphanium)
SMILESCl[Re](Cl)Cl.[N-]=O.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.3ClH.NO.Re/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;1-2;/h2*1-15H;3*1H;;/q;;;;;-1;+3/p-1
InChIKeyFUWKIOIJRLQNDL-UHFFFAOYSA-M
MW849.17 g/mol
LogP8.74
Rot. Bonds6

About nitroxyl anion;trichlororhenium;bis(triphenylphosphanium)

nitroxyl anion;trichlororhenium;bis(triphenylphosphanium) (PubChem CID 6396803) has the molecular formula C36H32Cl3NOP2Re+ and a molecular weight of 849.17 g/mol. Its IUPAC name is nitroxyl anion;trichlororhenium;bis(triphenylphosphanium).

Molecular Properties

Compound Namenitroxyl anion;trichlororhenium;bis(triphenylphosphanium)
PubChem CID6396803
Molecular FormulaC36H32Cl3NOP2Re+
Molecular Weight849.17 g/mol
Exact Mass848.06
IUPAC Namenitroxyl anion;trichlororhenium;bis(triphenylphosphanium)
SMILESCl[Re](Cl)Cl.[N-]=O.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.3ClH.NO.Re/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;1-2;/h2*1-15H;3*1H;;/q;;;;;-1;+3/p-1
InChIKeyFUWKIOIJRLQNDL-UHFFFAOYSA-M
XLogP8.74
TPSA39.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.17
LogP ≤ 58.74
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

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Frequently Asked Questions

What is the IUPAC name of nitroxyl anion;trichlororhenium;bis(triphenylphosphanium)?
The IUPAC name of nitroxyl anion;trichlororhenium;bis(triphenylphosphanium) (CID 6396803) is nitroxyl anion;trichlororhenium;bis(triphenylphosphanium).
What is the SMILES notation for nitroxyl anion;trichlororhenium;bis(triphenylphosphanium)?
The canonical SMILES for nitroxyl anion;trichlororhenium;bis(triphenylphosphanium) is Cl[Re](Cl)Cl.[N-]=O.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of nitroxyl anion;trichlororhenium;bis(triphenylphosphanium)?
The InChIKey is FUWKIOIJRLQNDL-UHFFFAOYSA-M. The full InChI is InChI=1S/2C18H15P.3ClH.NO.Re/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;1-2;/h2*1-15H;3*1H;;/q;;;;;-1;+3/p-1.
What are the key properties of nitroxyl anion;trichlororhenium;bis(triphenylphosphanium)?
nitroxyl anion;trichlororhenium;bis(triphenylphosphanium) has a molecular weight of 849.17 g/mol, XLogP of 8.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nitroxyl anion;trichlororhenium;bis(triphenylphosphanium) is sourced from PubChem (CID 6396803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).