carbon monoxide;manganese;5-methylcyclopenta-1,3-diene;triphenylarsane

C26H22AsMnO2- — CID 11987478

IUPACcarbon monoxide;manganese;5-methylcyclopenta-1,3-diene;triphenylarsane
SMILESC[c-]1cccc1.[C-]#[O+].[C-]#[O+].[Mn].c1ccc([As](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15As.C6H7.2CO.Mn/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-4-2-3-5-6;2*1-2;/h1-15H;2-5H,1H3;;;/q;-1;;;
InChIKeyUBAKOPLCFYKHGL-UHFFFAOYSA-N
MW496.32 g/mol
LogP3.84
Rot. Bonds3

About carbon monoxide;manganese;5-methylcyclopenta-1,3-diene;triphenylarsane

carbon monoxide;manganese;5-methylcyclopenta-1,3-diene;triphenylarsane (PubChem CID 11987478) has the molecular formula C26H22AsMnO2- and a molecular weight of 496.32 g/mol. Its IUPAC name is carbon monoxide;manganese;5-methylcyclopenta-1,3-diene;triphenylarsane.

Molecular Properties

Compound Namecarbon monoxide;manganese;5-methylcyclopenta-1,3-diene;triphenylarsane
PubChem CID11987478
Molecular FormulaC26H22AsMnO2-
Molecular Weight496.32 g/mol
Exact Mass496.02
IUPAC Namecarbon monoxide;manganese;5-methylcyclopenta-1,3-diene;triphenylarsane
SMILESC[c-]1cccc1.[C-]#[O+].[C-]#[O+].[Mn].c1ccc([As](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15As.C6H7.2CO.Mn/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-4-2-3-5-6;2*1-2;/h1-15H;2-5H,1H3;;;/q;-1;;;
InChIKeyUBAKOPLCFYKHGL-UHFFFAOYSA-N
XLogP3.84
TPSA39.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.32
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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palladium;bis(triphenylarsane)
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CID 71350968
bis(5-methylcyclopenta-1,3-diene);zirconium(4+)
CID 159550876
(4-chlorophenyl)-diphenylarsane
CID 86153413
tris(5-methylcyclopenta-1,3-diene);methylcyclopentane;bis(phenylmethanediol);ytterbium
CID 11986098
5-methylcyclopenta-1,3-diene;trichlorozirconium
CID 154420195
tert-butylazanide;carbanide;5-methylcyclopenta-1,3-diene;titanium(4+)
CID 150958028
(3-diphenylarsanylphenyl)-trimethylazanium
CID 23267839
CID 158895682
CID 158895682
iodopalladium(1+);methylbenzene;bis(triphenylarsane)
CID 12710107
carbon monoxide;bis(diphenylstibanylmethyl(diphenyl)stibane);manganese
CID 11083766

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;manganese;5-methylcyclopenta-1,3-diene;triphenylarsane?
The IUPAC name of carbon monoxide;manganese;5-methylcyclopenta-1,3-diene;triphenylarsane (CID 11987478) is carbon monoxide;manganese;5-methylcyclopenta-1,3-diene;triphenylarsane.
What is the SMILES notation for carbon monoxide;manganese;5-methylcyclopenta-1,3-diene;triphenylarsane?
The canonical SMILES for carbon monoxide;manganese;5-methylcyclopenta-1,3-diene;triphenylarsane is C[c-]1cccc1.[C-]#[O+].[C-]#[O+].[Mn].c1ccc([As](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of carbon monoxide;manganese;5-methylcyclopenta-1,3-diene;triphenylarsane?
The InChIKey is UBAKOPLCFYKHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15As.C6H7.2CO.Mn/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-4-2-3-5-6;2*1-2;/h1-15H;2-5H,1H3;;;/q;-1;;;.
What are the key properties of carbon monoxide;manganese;5-methylcyclopenta-1,3-diene;triphenylarsane?
carbon monoxide;manganese;5-methylcyclopenta-1,3-diene;triphenylarsane has a molecular weight of 496.32 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;manganese;5-methylcyclopenta-1,3-diene;triphenylarsane is sourced from PubChem (CID 11987478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).