methanidyl(diphenyl)phosphane;nitroxyl anion;rhenium;triphenylphosphanium

C31H28NOP2Re- — CID 135013959

IUPACmethanidyl(diphenyl)phosphane;nitroxyl anion;rhenium;triphenylphosphanium
SMILES[CH2-]P(c1ccccc1)c1ccccc1.[N-]=O.[Re].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C13H12P.NO.Re/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2;/h1-15H;2-11H,1H2;;/q;2*-1;/p+1
InChIKeyMQOPPEATOJVTTI-UHFFFAOYSA-O
MW678.73 g/mol
LogP6.41
Rot. Bonds5

About methanidyl(diphenyl)phosphane;nitroxyl anion;rhenium;triphenylphosphanium

methanidyl(diphenyl)phosphane;nitroxyl anion;rhenium;triphenylphosphanium (PubChem CID 135013959) has the molecular formula C31H28NOP2Re- and a molecular weight of 678.73 g/mol. Its IUPAC name is methanidyl(diphenyl)phosphane;nitroxyl anion;rhenium;triphenylphosphanium.

Molecular Properties

Compound Namemethanidyl(diphenyl)phosphane;nitroxyl anion;rhenium;triphenylphosphanium
PubChem CID135013959
Molecular FormulaC31H28NOP2Re-
Molecular Weight678.73 g/mol
Exact Mass679.12
IUPAC Namemethanidyl(diphenyl)phosphane;nitroxyl anion;rhenium;triphenylphosphanium
SMILES[CH2-]P(c1ccccc1)c1ccccc1.[N-]=O.[Re].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C13H12P.NO.Re/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2;/h1-15H;2-11H,1H2;;/q;2*-1;/p+1
InChIKeyMQOPPEATOJVTTI-UHFFFAOYSA-O
XLogP6.41
TPSA39.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.73
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 135084555
palladium;tetrakis(triphenylphosphanium)
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hexakis(triphenylphosphanium);hexabromide
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palladium;triphenylphosphanium
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formaldehyde;ruthenium;tris(triphenylphosphanium)
CID 22165433
methanone;ruthenium(4+);triphenylphosphanium
CID 87465370
palladium;phosphane;tetrakis(triphenylphosphanium)
CID 90187474
carbanide;nickel;triphenylphosphanium
CID 87436309
nitroxyl anion;ruthenium(1+) monohydride;tris(triphenylphosphane)
CID 173393317

Frequently Asked Questions

What is the IUPAC name of methanidyl(diphenyl)phosphane;nitroxyl anion;rhenium;triphenylphosphanium?
The IUPAC name of methanidyl(diphenyl)phosphane;nitroxyl anion;rhenium;triphenylphosphanium (CID 135013959) is methanidyl(diphenyl)phosphane;nitroxyl anion;rhenium;triphenylphosphanium.
What is the SMILES notation for methanidyl(diphenyl)phosphane;nitroxyl anion;rhenium;triphenylphosphanium?
The canonical SMILES for methanidyl(diphenyl)phosphane;nitroxyl anion;rhenium;triphenylphosphanium is [CH2-]P(c1ccccc1)c1ccccc1.[N-]=O.[Re].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of methanidyl(diphenyl)phosphane;nitroxyl anion;rhenium;triphenylphosphanium?
The InChIKey is MQOPPEATOJVTTI-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H15P.C13H12P.NO.Re/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2;/h1-15H;2-11H,1H2;;/q;2*-1;/p+1.
What are the key properties of methanidyl(diphenyl)phosphane;nitroxyl anion;rhenium;triphenylphosphanium?
methanidyl(diphenyl)phosphane;nitroxyl anion;rhenium;triphenylphosphanium has a molecular weight of 678.73 g/mol, XLogP of 6.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl(diphenyl)phosphane;nitroxyl anion;rhenium;triphenylphosphanium is sourced from PubChem (CID 135013959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).