CID 11607656

C47H38Fe2O5P2Rh+4 — CID 11607656

IUPAC—
SMILESO=C(O)[C]1[CH][CH][CH][CH]1.O=C(O)[C]1[CH][CH][CH][CH]1.[C-]#[O+].[CH]1[CH][CH][C](P(c2ccccc2)c2ccccc2)[CH]1.[CH]1[CH][CH][C](P(c2ccccc2)c2ccccc2)[CH]1.[Fe+2].[Fe+2].[Rh]
InChIInChI=1S/2C17H14P.2C6H5O2.CO.2Fe.Rh/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;2*7-6(8)5-3-1-2-4-5;1-2;;;/h2*1-14H;2*1-4H,(H,7,8);;;;/q;;;;;2*+2;
InChIKeyQSBBMAGEYLUENG-UHFFFAOYSA-N
MW959.36 g/mol
LogP7.87
Rot. Bonds8

About CID 11607656

CID 11607656 (PubChem CID 11607656) has the molecular formula C47H38Fe2O5P2Rh+4 and a molecular weight of 959.36 g/mol.

Molecular Properties

Compound NameCID 11607656
PubChem CID11607656
Molecular FormulaC47H38Fe2O5P2Rh+4
Molecular Weight959.36 g/mol
Exact Mass958.99
IUPAC Name—
SMILESO=C(O)[C]1[CH][CH][CH][CH]1.O=C(O)[C]1[CH][CH][CH][CH]1.[C-]#[O+].[CH]1[CH][CH][C](P(c2ccccc2)c2ccccc2)[CH]1.[CH]1[CH][CH][C](P(c2ccccc2)c2ccccc2)[CH]1.[Fe+2].[Fe+2].[Rh]
InChIInChI=1S/2C17H14P.2C6H5O2.CO.2Fe.Rh/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;2*7-6(8)5-3-1-2-4-5;1-2;;;/h2*1-14H;2*1-4H,(H,7,8);;;;/q;;;;;2*+2;
InChIKeyQSBBMAGEYLUENG-UHFFFAOYSA-N
XLogP7.87
TPSA94.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500959.36
LogP ≤ 57.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Frequently Asked Questions

What is the IUPAC name of CID 11607656?
The IUPAC name of CID 11607656 (CID 11607656) is not available.
What is the SMILES notation for CID 11607656?
The canonical SMILES for CID 11607656 is O=C(O)[C]1[CH][CH][CH][CH]1.O=C(O)[C]1[CH][CH][CH][CH]1.[C-]#[O+].[CH]1[CH][CH][C](P(c2ccccc2)c2ccccc2)[CH]1.[CH]1[CH][CH][C](P(c2ccccc2)c2ccccc2)[CH]1.[Fe+2].[Fe+2].[Rh].
What is the InChIKey of CID 11607656?
The InChIKey is QSBBMAGEYLUENG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H14P.2C6H5O2.CO.2Fe.Rh/c2*1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;2*7-6(8)5-3-1-2-4-5;1-2;;;/h2*1-14H;2*1-4H,(H,7,8);;;;/q;;;;;2*+2;.
What are the key properties of CID 11607656?
CID 11607656 has a molecular weight of 959.36 g/mol, XLogP of 7.87, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11607656 is sourced from PubChem (CID 11607656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).