carbon monoxide;molybdenum;tris(triphenylarsane)

C57H45As3MoO3 — CID 134902628

IUPACcarbon monoxide;molybdenum;tris(triphenylarsane)
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo].c1ccc([As](c2ccccc2)c2ccccc2)cc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15As.3CO.Mo/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-2;/h3*1-15H;;;;
InChIKeySNOBTPZCXLXWTD-UHFFFAOYSA-N
MW1098.69 g/mol
LogP6.49
Rot. Bonds9

About carbon monoxide;molybdenum;tris(triphenylarsane)

carbon monoxide;molybdenum;tris(triphenylarsane) (PubChem CID 134902628) has the molecular formula C57H45As3MoO3 and a molecular weight of 1098.69 g/mol. Its IUPAC name is carbon monoxide;molybdenum;tris(triphenylarsane).

Molecular Properties

Compound Namecarbon monoxide;molybdenum;tris(triphenylarsane)
PubChem CID134902628
Molecular FormulaC57H45As3MoO3
Molecular Weight1098.69 g/mol
Exact Mass1100.01
IUPAC Namecarbon monoxide;molybdenum;tris(triphenylarsane)
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo].c1ccc([As](c2ccccc2)c2ccccc2)cc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15As.3CO.Mo/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-2;/h3*1-15H;;;;
InChIKeySNOBTPZCXLXWTD-UHFFFAOYSA-N
XLogP6.49
TPSA59.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001098.69
LogP ≤ 56.49
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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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;molybdenum;tris(triphenylarsane)?
The IUPAC name of carbon monoxide;molybdenum;tris(triphenylarsane) (CID 134902628) is carbon monoxide;molybdenum;tris(triphenylarsane).
What is the SMILES notation for carbon monoxide;molybdenum;tris(triphenylarsane)?
The canonical SMILES for carbon monoxide;molybdenum;tris(triphenylarsane) is [C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo].c1ccc([As](c2ccccc2)c2ccccc2)cc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of carbon monoxide;molybdenum;tris(triphenylarsane)?
The InChIKey is SNOBTPZCXLXWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H15As.3CO.Mo/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3*1-2;/h3*1-15H;;;;.
What are the key properties of carbon monoxide;molybdenum;tris(triphenylarsane)?
carbon monoxide;molybdenum;tris(triphenylarsane) has a molecular weight of 1098.69 g/mol, XLogP of 6.49, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;molybdenum;tris(triphenylarsane) is sourced from PubChem (CID 134902628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).