Ferro-cenyldiphenylphosphine

C22H19FeP — CID 121000176

IUPAC—
SMILES[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C](P(c2ccccc2)c2ccccc2)[CH]1.[Fe]
InChIInChI=1S/C17H14P.C5H5.Fe/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-2-4-5-3-1;/h1-14H;1-5H;
InChIKeyIPLAFZYBLRQTJI-UHFFFAOYSA-N
MW370.21 g/mol
LogP4.50
Rot. Bonds3

About Ferro-cenyldiphenylphosphine

Ferro-cenyldiphenylphosphine (PubChem CID 121000176) has the molecular formula C22H19FeP and a molecular weight of 370.21 g/mol.

Molecular Properties

Compound NameFerro-cenyldiphenylphosphine
PubChem CID121000176
Molecular FormulaC22H19FeP
Molecular Weight370.21 g/mol
Exact Mass370.06
IUPAC Name—
SMILES[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C](P(c2ccccc2)c2ccccc2)[CH]1.[Fe]
InChIInChI=1S/C17H14P.C5H5.Fe/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-2-4-5-3-1;/h1-14H;1-5H;
InChIKeyIPLAFZYBLRQTJI-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.21
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Ferro-cenyldiphenylphosphine?
The IUPAC name of Ferro-cenyldiphenylphosphine (CID 121000176) is not available.
What is the SMILES notation for Ferro-cenyldiphenylphosphine?
The canonical SMILES for Ferro-cenyldiphenylphosphine is [CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C](P(c2ccccc2)c2ccccc2)[CH]1.[Fe].
What is the InChIKey of Ferro-cenyldiphenylphosphine?
The InChIKey is IPLAFZYBLRQTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14P.C5H5.Fe/c1-3-9-15(10-4-1)18(17-13-7-8-14-17)16-11-5-2-6-12-16;1-2-4-5-3-1;/h1-14H;1-5H;.
What are the key properties of Ferro-cenyldiphenylphosphine?
Ferro-cenyldiphenylphosphine has a molecular weight of 370.21 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Ferro-cenyldiphenylphosphine is sourced from PubChem (CID 121000176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).