carbon monoxide;diphenylphosphane;iron;tris(dimethylamino)-prop-1-en-2-ylphosphanium

C27H32Fe2N3O6P2- — CID 11966785

IUPACcarbon monoxide;diphenylphosphane;iron;tris(dimethylamino)-prop-1-en-2-ylphosphanium
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe].[H]/[C-]=C(/[CH2-])[P+](N(C)C)(N(C)C)N(C)C.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.C9H21N3P.6CO.2Fe/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-9(2)13(10(3)4,11(5)6)12(7)8;6*1-2;;/h1-10,13H;1H,2H2,3-8H3;;;;;;;;/q;-1;;;;;;;;
InChIKeyJEHDTBOCDDPDTB-UHFFFAOYSA-N
MW668.21 g/mol
LogP3.67
Rot. Bonds6

About carbon monoxide;diphenylphosphane;iron;tris(dimethylamino)-prop-1-en-2-ylphosphanium

carbon monoxide;diphenylphosphane;iron;tris(dimethylamino)-prop-1-en-2-ylphosphanium (PubChem CID 11966785) has the molecular formula C27H32Fe2N3O6P2- and a molecular weight of 668.21 g/mol. Its IUPAC name is carbon monoxide;diphenylphosphane;iron;tris(dimethylamino)-prop-1-en-2-ylphosphanium.

Molecular Properties

Compound Namecarbon monoxide;diphenylphosphane;iron;tris(dimethylamino)-prop-1-en-2-ylphosphanium
PubChem CID11966785
Molecular FormulaC27H32Fe2N3O6P2-
Molecular Weight668.21 g/mol
Exact Mass668.05
IUPAC Namecarbon monoxide;diphenylphosphane;iron;tris(dimethylamino)-prop-1-en-2-ylphosphanium
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe].[H]/[C-]=C(/[CH2-])[P+](N(C)C)(N(C)C)N(C)C.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.C9H21N3P.6CO.2Fe/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-9(2)13(10(3)4,11(5)6)12(7)8;6*1-2;;/h1-10,13H;1H,2H2,3-8H3;;;;;;;;/q;-1;;;;;;;;
InChIKeyJEHDTBOCDDPDTB-UHFFFAOYSA-N
XLogP3.67
TPSA129.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500668.21
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Dimethylaminodiphenylphosphine
CID 11333675
2,2,4,4-Tetrakis(dimethylamino)-6,6-diphenylcyclotriphosphazene
CID 238029
N-[dimethylamino-(2-diphenylphosphanylphenyl)phosphanyl]-N-methylmethanamine
CID 101121245
N-[bis(dimethylamino)-[(triphenyl-lambda5-phosphanylidene)methylidene]-lambda5-phosphanyl]-N-methylmethanamine
CID 23416432
N-[[4-[dimethylamino(phenyl)phosphanyl]phenyl]-phenylphosphanyl]-N-methylmethanamine
CID 15568301
2-diphenylphosphanyl-1-N,1-N,1-N',1-N',3-N,3-N,3-N',3-N'-octamethyl-1lambda5,3lambda5-diphosphacyclobuta-1,3-diene-1,1,3,3-tetramine
CID 134906744
1-dimethylphosphoryl-N-diphenylphosphanyl-N-methylmethanamine
CID 134932688
Pentacarbonyl-(mu-di-tert.butylphosphido)-(mu-diphenylphosphido)-diiron(i)
CID 533500
N-[4-[diethylamino(phenyl)phosphanyl]butyl-phenylphosphanyl]-N-ethylethanamine
CID 12932759
1,3-Bis[tert-butyl(phenyl)phosphanyl]-1,3-dimethylurea
CID 15105654
Tris(dimethylamino)-(triphenyl-lambda5-phosphanylidene)phosphanylphosphanium
CID 16699966
N-[dimethylamino(2-diphenylphosphanylethyl)phosphanyl]-N-methylmethanamine
CID 23414777

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;diphenylphosphane;iron;tris(dimethylamino)-prop-1-en-2-ylphosphanium?
The IUPAC name of carbon monoxide;diphenylphosphane;iron;tris(dimethylamino)-prop-1-en-2-ylphosphanium (CID 11966785) is carbon monoxide;diphenylphosphane;iron;tris(dimethylamino)-prop-1-en-2-ylphosphanium.
What is the SMILES notation for carbon monoxide;diphenylphosphane;iron;tris(dimethylamino)-prop-1-en-2-ylphosphanium?
The canonical SMILES for carbon monoxide;diphenylphosphane;iron;tris(dimethylamino)-prop-1-en-2-ylphosphanium is [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe].[H]/[C-]=C(/[CH2-])[P+](N(C)C)(N(C)C)N(C)C.c1ccc(Pc2ccccc2)cc1.
What is the InChIKey of carbon monoxide;diphenylphosphane;iron;tris(dimethylamino)-prop-1-en-2-ylphosphanium?
The InChIKey is JEHDTBOCDDPDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11P.C9H21N3P.6CO.2Fe/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-9(2)13(10(3)4,11(5)6)12(7)8;6*1-2;;/h1-10,13H;1H,2H2,3-8H3;;;;;;;;/q;-1;;;;;;;;.
What are the key properties of carbon monoxide;diphenylphosphane;iron;tris(dimethylamino)-prop-1-en-2-ylphosphanium?
carbon monoxide;diphenylphosphane;iron;tris(dimethylamino)-prop-1-en-2-ylphosphanium has a molecular weight of 668.21 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;diphenylphosphane;iron;tris(dimethylamino)-prop-1-en-2-ylphosphanium is sourced from PubChem (CID 11966785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).