carbon monoxide;iron;methanone;methylideneiron(1+);N-phenyl-N-phosphanylaniline

C23H15Fe3NO10P — CID 533563

IUPACcarbon monoxide;iron;methanone;methylideneiron(1+);N-phenyl-N-phosphanylaniline
SMILESC=[Fe+].PN(c1ccccc1)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH-]=O.[Fe].[Fe]
InChIInChI=1S/C12H12NP.CHO.9CO.CH2.3Fe/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;10*1-2;;;;/h1-10H,14H2;1H;;;;;;;;;;1H2;;;/q;-1;;;;;;;;;;;;;+1
InChIKeyAYPYKEOIYFJKCO-UHFFFAOYSA-N
MW663.88 g/mol
LogP2.96
Rot. Bonds2

About carbon monoxide;iron;methanone;methylideneiron(1+);N-phenyl-N-phosphanylaniline

carbon monoxide;iron;methanone;methylideneiron(1+);N-phenyl-N-phosphanylaniline (PubChem CID 533563) has the molecular formula C23H15Fe3NO10P and a molecular weight of 663.88 g/mol. Its IUPAC name is carbon monoxide;iron;methanone;methylideneiron(1+);N-phenyl-N-phosphanylaniline.

Molecular Properties

Compound Namecarbon monoxide;iron;methanone;methylideneiron(1+);N-phenyl-N-phosphanylaniline
PubChem CID533563
Molecular FormulaC23H15Fe3NO10P
Molecular Weight663.88 g/mol
Exact Mass663.85
IUPAC Namecarbon monoxide;iron;methanone;methylideneiron(1+);N-phenyl-N-phosphanylaniline
SMILESC=[Fe+].PN(c1ccccc1)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH-]=O.[Fe].[Fe]
InChIInChI=1S/C12H12NP.CHO.9CO.CH2.3Fe/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;10*1-2;;;;/h1-10H,14H2;1H;;;;;;;;;;1H2;;;/q;-1;;;;;;;;;;;;;+1
InChIKeyAYPYKEOIYFJKCO-UHFFFAOYSA-N
XLogP2.96
TPSA199.41 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500663.88
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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

carbon monoxide;N,N-dimethylaniline;tungsten
CID 134981716
carbon monoxide;iron;[N-(sulfidomethyl)anilino]methanethiolate
CID 139240248
N-oxido-N-phosphanylaniline
CID 163802295
N,N-diphenylaniline;ethene
CID 135186601
benzenethiolate;carbon monoxide;iron
CID 6398989
ethene;N-methyl-N-phenylaniline
CID 144541479
1,1'-biphenyl;carbon monoxide;chromium
CID 11066186
N,N-diphenylaniline;silane
CID 131739129
N-methylideneindiganyl-N-phenylaniline
CID 163637405
N,N-dimethylaniline
CID 70392672
azane;N,N-diphenylaniline;methane
CID 174725062
acetylene;N,N-diphenylaniline
CID 162160270

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;iron;methanone;methylideneiron(1+);N-phenyl-N-phosphanylaniline?
The IUPAC name of carbon monoxide;iron;methanone;methylideneiron(1+);N-phenyl-N-phosphanylaniline (CID 533563) is carbon monoxide;iron;methanone;methylideneiron(1+);N-phenyl-N-phosphanylaniline.
What is the SMILES notation for carbon monoxide;iron;methanone;methylideneiron(1+);N-phenyl-N-phosphanylaniline?
The canonical SMILES for carbon monoxide;iron;methanone;methylideneiron(1+);N-phenyl-N-phosphanylaniline is C=[Fe+].PN(c1ccccc1)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH-]=O.[Fe].[Fe].
What is the InChIKey of carbon monoxide;iron;methanone;methylideneiron(1+);N-phenyl-N-phosphanylaniline?
The InChIKey is AYPYKEOIYFJKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12NP.CHO.9CO.CH2.3Fe/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;10*1-2;;;;/h1-10H,14H2;1H;;;;;;;;;;1H2;;;/q;-1;;;;;;;;;;;;;+1.
What are the key properties of carbon monoxide;iron;methanone;methylideneiron(1+);N-phenyl-N-phosphanylaniline?
carbon monoxide;iron;methanone;methylideneiron(1+);N-phenyl-N-phosphanylaniline has a molecular weight of 663.88 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;iron;methanone;methylideneiron(1+);N-phenyl-N-phosphanylaniline is sourced from PubChem (CID 533563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).