CID 10525362

C26H22FeO+2 — CID 10525362

IUPAC—
SMILESO=C([C]1[CH][CH][CH][CH]1)C1C(c2ccccc2)C1c1ccccc1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C21H17O.C5H5.Fe/c22-21(17-13-7-8-14-17)20-18(15-9-3-1-4-10-15)19(20)16-11-5-2-6-12-16;1-2-4-5-3-1;/h1-14,18-20H;1-5H;/q;;+2
InChIKeyKCUZBPCRPHMLAD-UHFFFAOYSA-N
MW406.31 g/mol
LogP5.18
Rot. Bonds4

About CID 10525362

CID 10525362 (PubChem CID 10525362) has the molecular formula C26H22FeO+2 and a molecular weight of 406.31 g/mol.

Molecular Properties

Compound NameCID 10525362
PubChem CID10525362
Molecular FormulaC26H22FeO+2
Molecular Weight406.31 g/mol
Exact Mass406.10
IUPAC Name—
SMILESO=C([C]1[CH][CH][CH][CH]1)C1C(c2ccccc2)C1c1ccccc1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C21H17O.C5H5.Fe/c22-21(17-13-7-8-14-17)20-18(15-9-3-1-4-10-15)19(20)16-11-5-2-6-12-16;1-2-4-5-3-1;/h1-14,18-20H;1-5H;/q;;+2
InChIKeyKCUZBPCRPHMLAD-UHFFFAOYSA-N
XLogP5.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.31
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 10525362?
The IUPAC name of CID 10525362 (CID 10525362) is not available.
What is the SMILES notation for CID 10525362?
The canonical SMILES for CID 10525362 is O=C([C]1[CH][CH][CH][CH]1)C1C(c2ccccc2)C1c1ccccc1.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 10525362?
The InChIKey is KCUZBPCRPHMLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17O.C5H5.Fe/c22-21(17-13-7-8-14-17)20-18(15-9-3-1-4-10-15)19(20)16-11-5-2-6-12-16;1-2-4-5-3-1;/h1-14,18-20H;1-5H;/q;;+2.
What are the key properties of CID 10525362?
CID 10525362 has a molecular weight of 406.31 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10525362 is sourced from PubChem (CID 10525362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).