CID 25229120

C23H19FeO2P+2 — CID 25229120

IUPAC—
SMILESO=C[C]1[CH][CH][CH][C]1P(=O)(c1ccccc1)c1ccccc1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C18H14O2P.C5H5.Fe/c19-14-15-8-7-13-18(15)21(20,16-9-3-1-4-10-16)17-11-5-2-6-12-17;1-2-4-5-3-1;/h1-14H;1-5H;/q;;+2
InChIKeyHMHMJDPPFIFRQC-UHFFFAOYSA-N
MW414.22 g/mol
LogP3.95
Rot. Bonds4

About CID 25229120

CID 25229120 (PubChem CID 25229120) has the molecular formula C23H19FeO2P+2 and a molecular weight of 414.22 g/mol.

Molecular Properties

Compound NameCID 25229120
PubChem CID25229120
Molecular FormulaC23H19FeO2P+2
Molecular Weight414.22 g/mol
Exact Mass414.05
IUPAC Name—
SMILESO=C[C]1[CH][CH][CH][C]1P(=O)(c1ccccc1)c1ccccc1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C18H14O2P.C5H5.Fe/c19-14-15-8-7-13-18(15)21(20,16-9-3-1-4-10-16)17-11-5-2-6-12-17;1-2-4-5-3-1;/h1-14H;1-5H;/q;;+2
InChIKeyHMHMJDPPFIFRQC-UHFFFAOYSA-N
XLogP3.95
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.22
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 CID 25229120?
The IUPAC name of CID 25229120 (CID 25229120) is not available.
What is the SMILES notation for CID 25229120?
The canonical SMILES for CID 25229120 is O=C[C]1[CH][CH][CH][C]1P(=O)(c1ccccc1)c1ccccc1.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 25229120?
The InChIKey is HMHMJDPPFIFRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2P.C5H5.Fe/c19-14-15-8-7-13-18(15)21(20,16-9-3-1-4-10-16)17-11-5-2-6-12-17;1-2-4-5-3-1;/h1-14H;1-5H;/q;;+2.
What are the key properties of CID 25229120?
CID 25229120 has a molecular weight of 414.22 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 25229120 is sourced from PubChem (CID 25229120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).