carbon monoxide;manganese;bis(triphenyl phosphite)

C44H30Mn2O14P2 — CID 135047588

IUPACcarbon monoxide;manganese;bis(triphenyl phosphite)
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn].[Mn].c1ccc(OP(Oc2ccccc2)Oc2ccccc2)cc1.c1ccc(OP(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/2C18H15O3P.8CO.2Mn/c2*1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;8*1-2;;/h2*1-15H;;;;;;;;;;
InChIKeyKZLQLKUBAMHJOR-UHFFFAOYSA-N
MW954.53 g/mol
LogP10.60
Rot. Bonds12

About carbon monoxide;manganese;bis(triphenyl phosphite)

carbon monoxide;manganese;bis(triphenyl phosphite) (PubChem CID 135047588) has the molecular formula C44H30Mn2O14P2 and a molecular weight of 954.53 g/mol. Its IUPAC name is carbon monoxide;manganese;bis(triphenyl phosphite).

Molecular Properties

Compound Namecarbon monoxide;manganese;bis(triphenyl phosphite)
PubChem CID135047588
Molecular FormulaC44H30Mn2O14P2
Molecular Weight954.53 g/mol
Exact Mass953.99
IUPAC Namecarbon monoxide;manganese;bis(triphenyl phosphite)
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn].[Mn].c1ccc(OP(Oc2ccccc2)Oc2ccccc2)cc1.c1ccc(OP(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/2C18H15O3P.8CO.2Mn/c2*1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;8*1-2;;/h2*1-15H;;;;;;;;;;
InChIKeyKZLQLKUBAMHJOR-UHFFFAOYSA-N
XLogP10.60
TPSA214.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500954.53
LogP ≤ 510.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;manganese;bis(triphenyl phosphite)?
The IUPAC name of carbon monoxide;manganese;bis(triphenyl phosphite) (CID 135047588) is carbon monoxide;manganese;bis(triphenyl phosphite).
What is the SMILES notation for carbon monoxide;manganese;bis(triphenyl phosphite)?
The canonical SMILES for carbon monoxide;manganese;bis(triphenyl phosphite) is [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn].[Mn].c1ccc(OP(Oc2ccccc2)Oc2ccccc2)cc1.c1ccc(OP(Oc2ccccc2)Oc2ccccc2)cc1.
What is the InChIKey of carbon monoxide;manganese;bis(triphenyl phosphite)?
The InChIKey is KZLQLKUBAMHJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15O3P.8CO.2Mn/c2*1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;8*1-2;;/h2*1-15H;;;;;;;;;;.
What are the key properties of carbon monoxide;manganese;bis(triphenyl phosphite)?
carbon monoxide;manganese;bis(triphenyl phosphite) has a molecular weight of 954.53 g/mol, XLogP of 10.60, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;manganese;bis(triphenyl phosphite) is sourced from PubChem (CID 135047588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).