carbon monoxide;cyclopenta-1,3-diene;diphenyl-(1-phenylethylamino)phosphanium;molybdenum;nitroxyl anion

C26H26MoN2O2P- — CID 11987355

IUPACcarbon monoxide;cyclopenta-1,3-diene;diphenyl-(1-phenylethylamino)phosphanium;molybdenum;nitroxyl anion
SMILESCC(N[PH+](c1ccccc1)c1ccccc1)c1ccccc1.[C-]#[O+].[Mo].[N-]=O.c1cc[cH-]c1
InChIInChI=1S/C20H20NP.C5H5.CO.Mo.NO/c1-17(18-11-5-2-6-12-18)21-22(19-13-7-3-8-14-19)20-15-9-4-10-16-20;1-2-4-5-3-1;1-2;;1-2/h2-17,21H,1H3;1-5H;;;/q;-1;;;-1/p+1
InChIKeyZSGBYGCSZMOPKT-UHFFFAOYSA-O
MW525.42 g/mol
LogP5.81
Rot. Bonds5

About carbon monoxide;cyclopenta-1,3-diene;diphenyl-(1-phenylethylamino)phosphanium;molybdenum;nitroxyl anion

carbon monoxide;cyclopenta-1,3-diene;diphenyl-(1-phenylethylamino)phosphanium;molybdenum;nitroxyl anion (PubChem CID 11987355) has the molecular formula C26H26MoN2O2P- and a molecular weight of 525.42 g/mol. Its IUPAC name is carbon monoxide;cyclopenta-1,3-diene;diphenyl-(1-phenylethylamino)phosphanium;molybdenum;nitroxyl anion.

Molecular Properties

Compound Namecarbon monoxide;cyclopenta-1,3-diene;diphenyl-(1-phenylethylamino)phosphanium;molybdenum;nitroxyl anion
PubChem CID11987355
Molecular FormulaC26H26MoN2O2P-
Molecular Weight525.42 g/mol
Exact Mass527.08
IUPAC Namecarbon monoxide;cyclopenta-1,3-diene;diphenyl-(1-phenylethylamino)phosphanium;molybdenum;nitroxyl anion
SMILESCC(N[PH+](c1ccccc1)c1ccccc1)c1ccccc1.[C-]#[O+].[Mo].[N-]=O.c1cc[cH-]c1
InChIInChI=1S/C20H20NP.C5H5.CO.Mo.NO/c1-17(18-11-5-2-6-12-18)21-22(19-13-7-3-8-14-19)20-15-9-4-10-16-20;1-2-4-5-3-1;1-2;;1-2/h2-17,21H,1H3;1-5H;;;/q;-1;;;-1/p+1
InChIKeyZSGBYGCSZMOPKT-UHFFFAOYSA-O
XLogP5.81
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.42
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 11987429
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CID 11985301
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carbon monoxide;molybdenum;bis(triphenylphosphanium)
CID 6327321
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CID 70280028
carbon monoxide;cyclopenta-1,3-diene;iron(6+);phenylmethanone
CID 11986665
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
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1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 59070989
ethane;N-methyl-1-phenylethanamine
CID 91444453
carbon dioxide;N-methyl-1-phenylethanamine
CID 91452394

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cyclopenta-1,3-diene;diphenyl-(1-phenylethylamino)phosphanium;molybdenum;nitroxyl anion?
The IUPAC name of carbon monoxide;cyclopenta-1,3-diene;diphenyl-(1-phenylethylamino)phosphanium;molybdenum;nitroxyl anion (CID 11987355) is carbon monoxide;cyclopenta-1,3-diene;diphenyl-(1-phenylethylamino)phosphanium;molybdenum;nitroxyl anion.
What is the SMILES notation for carbon monoxide;cyclopenta-1,3-diene;diphenyl-(1-phenylethylamino)phosphanium;molybdenum;nitroxyl anion?
The canonical SMILES for carbon monoxide;cyclopenta-1,3-diene;diphenyl-(1-phenylethylamino)phosphanium;molybdenum;nitroxyl anion is CC(N[PH+](c1ccccc1)c1ccccc1)c1ccccc1.[C-]#[O+].[Mo].[N-]=O.c1cc[cH-]c1.
What is the InChIKey of carbon monoxide;cyclopenta-1,3-diene;diphenyl-(1-phenylethylamino)phosphanium;molybdenum;nitroxyl anion?
The InChIKey is ZSGBYGCSZMOPKT-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H20NP.C5H5.CO.Mo.NO/c1-17(18-11-5-2-6-12-18)21-22(19-13-7-3-8-14-19)20-15-9-4-10-16-20;1-2-4-5-3-1;1-2;;1-2/h2-17,21H,1H3;1-5H;;;/q;-1;;;-1/p+1.
What are the key properties of carbon monoxide;cyclopenta-1,3-diene;diphenyl-(1-phenylethylamino)phosphanium;molybdenum;nitroxyl anion?
carbon monoxide;cyclopenta-1,3-diene;diphenyl-(1-phenylethylamino)phosphanium;molybdenum;nitroxyl anion has a molecular weight of 525.42 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cyclopenta-1,3-diene;diphenyl-(1-phenylethylamino)phosphanium;molybdenum;nitroxyl anion is sourced from PubChem (CID 11987355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).