CID 11375425

C32H26FeO2+2 — CID 11375425

IUPAC—
SMILESO=C(/C=C/C=C/c1ccccc1)[C]1[CH][CH][CH][CH]1.O=C(/C=C/C=C/c1ccccc1)[C]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/2C16H13O.Fe/c2*17-16(15-11-5-6-12-15)13-7-4-10-14-8-2-1-3-9-14;/h2*1-13H;/q;;+2/b2*10-4+,13-7+;
InChIKeyKSIMPRSXRSYAKJ-BXNWVVOQSA-N
MW498.40 g/mol
LogP6.46
Rot. Bonds8

About CID 11375425

CID 11375425 (PubChem CID 11375425) has the molecular formula C32H26FeO2+2 and a molecular weight of 498.40 g/mol.

Molecular Properties

Compound NameCID 11375425
PubChem CID11375425
Molecular FormulaC32H26FeO2+2
Molecular Weight498.40 g/mol
Exact Mass498.13
IUPAC Name—
SMILESO=C(/C=C/C=C/c1ccccc1)[C]1[CH][CH][CH][CH]1.O=C(/C=C/C=C/c1ccccc1)[C]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/2C16H13O.Fe/c2*17-16(15-11-5-6-12-15)13-7-4-10-14-8-2-1-3-9-14;/h2*1-13H;/q;;+2/b2*10-4+,13-7+;
InChIKeyKSIMPRSXRSYAKJ-BXNWVVOQSA-N
XLogP6.46
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.40
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 11375425?
The IUPAC name of CID 11375425 (CID 11375425) is not available.
What is the SMILES notation for CID 11375425?
The canonical SMILES for CID 11375425 is O=C(/C=C/C=C/c1ccccc1)[C]1[CH][CH][CH][CH]1.O=C(/C=C/C=C/c1ccccc1)[C]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 11375425?
The InChIKey is KSIMPRSXRSYAKJ-BXNWVVOQSA-N. The full InChI is InChI=1S/2C16H13O.Fe/c2*17-16(15-11-5-6-12-15)13-7-4-10-14-8-2-1-3-9-14;/h2*1-13H;/q;;+2/b2*10-4+,13-7+;.
What are the key properties of CID 11375425?
CID 11375425 has a molecular weight of 498.40 g/mol, XLogP of 6.46, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11375425 is sourced from PubChem (CID 11375425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).