carbon monoxide;cyclopenta-1,3-diene;prop-1-enylidenemanganese;triphenylphosphane

C27H24MnOP- — CID 139264364

IUPACcarbon monoxide;cyclopenta-1,3-diene;prop-1-enylidenemanganese;triphenylphosphane
SMILESCC=C=[Mn].[C-]#[O+].c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C5H5.C3H4.CO.Mn/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;1-3-2;1-2;/h1-15H;1-5H;3H,1H3;;/q;-1;;;
InChIKeyGXZUGNJUAUHFTD-UHFFFAOYSA-N
MW450.40 g/mol
LogP5.32
Rot. Bonds3

About carbon monoxide;cyclopenta-1,3-diene;prop-1-enylidenemanganese;triphenylphosphane

carbon monoxide;cyclopenta-1,3-diene;prop-1-enylidenemanganese;triphenylphosphane (PubChem CID 139264364) has the molecular formula C27H24MnOP- and a molecular weight of 450.40 g/mol. Its IUPAC name is carbon monoxide;cyclopenta-1,3-diene;prop-1-enylidenemanganese;triphenylphosphane.

Molecular Properties

Compound Namecarbon monoxide;cyclopenta-1,3-diene;prop-1-enylidenemanganese;triphenylphosphane
PubChem CID139264364
Molecular FormulaC27H24MnOP-
Molecular Weight450.40 g/mol
Exact Mass450.10
IUPAC Namecarbon monoxide;cyclopenta-1,3-diene;prop-1-enylidenemanganese;triphenylphosphane
SMILESCC=C=[Mn].[C-]#[O+].c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C5H5.C3H4.CO.Mn/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;1-3-2;1-2;/h1-15H;1-5H;3H,1H3;;/q;-1;;;
InChIKeyGXZUGNJUAUHFTD-UHFFFAOYSA-N
XLogP5.32
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.40
LogP ≤ 55.32
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': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cyclopenta-1,3-diene;prop-1-enylidenemanganese;triphenylphosphane?
The IUPAC name of carbon monoxide;cyclopenta-1,3-diene;prop-1-enylidenemanganese;triphenylphosphane (CID 139264364) is carbon monoxide;cyclopenta-1,3-diene;prop-1-enylidenemanganese;triphenylphosphane.
What is the SMILES notation for carbon monoxide;cyclopenta-1,3-diene;prop-1-enylidenemanganese;triphenylphosphane?
The canonical SMILES for carbon monoxide;cyclopenta-1,3-diene;prop-1-enylidenemanganese;triphenylphosphane is CC=C=[Mn].[C-]#[O+].c1cc[cH-]c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of carbon monoxide;cyclopenta-1,3-diene;prop-1-enylidenemanganese;triphenylphosphane?
The InChIKey is GXZUGNJUAUHFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C5H5.C3H4.CO.Mn/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;1-3-2;1-2;/h1-15H;1-5H;3H,1H3;;/q;-1;;;.
What are the key properties of carbon monoxide;cyclopenta-1,3-diene;prop-1-enylidenemanganese;triphenylphosphane?
carbon monoxide;cyclopenta-1,3-diene;prop-1-enylidenemanganese;triphenylphosphane has a molecular weight of 450.40 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cyclopenta-1,3-diene;prop-1-enylidenemanganese;triphenylphosphane is sourced from PubChem (CID 139264364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).