CID 11079317

C22H25FeP+2 — CID 11079317

IUPAC—
SMILES[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C]([P@](c2ccccc2)C2CCCCC2)[CH]1.[Fe+2]
InChIInChI=1S/C17H20P.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;/h1,3-4,7-10,13-14,16H,2,5-6,11-12H2;1-5H;/q;;+2/t18-;;/m1../s1
InChIKeyDARCTUZORIILEG-JPKZNVRTSA-N
MW376.26 g/mol
LogP5.51
Rot. Bonds3

About CID 11079317

CID 11079317 (PubChem CID 11079317) has the molecular formula C22H25FeP+2 and a molecular weight of 376.26 g/mol.

Molecular Properties

Compound NameCID 11079317
PubChem CID11079317
Molecular FormulaC22H25FeP+2
Molecular Weight376.26 g/mol
Exact Mass376.10
IUPAC Name—
SMILES[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C]([P@](c2ccccc2)C2CCCCC2)[CH]1.[Fe+2]
InChIInChI=1S/C17H20P.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;/h1,3-4,7-10,13-14,16H,2,5-6,11-12H2;1-5H;/q;;+2/t18-;;/m1../s1
InChIKeyDARCTUZORIILEG-JPKZNVRTSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.26
LogP ≤ 55.51
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 CID 11079317?
The IUPAC name of CID 11079317 (CID 11079317) is not available.
What is the SMILES notation for CID 11079317?
The canonical SMILES for CID 11079317 is [CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][C]([P@](c2ccccc2)C2CCCCC2)[CH]1.[Fe+2].
What is the InChIKey of CID 11079317?
The InChIKey is DARCTUZORIILEG-JPKZNVRTSA-N. The full InChI is InChI=1S/C17H20P.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;/h1,3-4,7-10,13-14,16H,2,5-6,11-12H2;1-5H;/q;;+2/t18-;;/m1../s1.
What are the key properties of CID 11079317?
CID 11079317 has a molecular weight of 376.26 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11079317 is sourced from PubChem (CID 11079317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).