CID 11491792

C40H56Fe2I2N2O2Pd2Si2+4 — CID 11491792

IUPAC—
SMILESCC(C)(C)[C@H]1COC([C]2[C-][CH][CH][C]2[Si](C)(C)C)=N1.CC(C)(C)[C@H]1COC([C]2[C-][CH][CH][C]2[Si](C)(C)C)=N1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2].[Pd+]I.[Pd+]I
InChIInChI=1S/2C15H23NOSi.2C5H5.2Fe.2HI.2Pd/c2*1-15(2,3)13-10-17-14(16-13)11-8-7-9-12(11)18(4,5)6;2*1-2-4-5-3-1;;;;;;/h2*7,9,13H,10H2,1-6H3;2*1-5H;;;2*1H;;/q2*-1;;;2*+2;;;2*+2/p-2/t2*13-;;;;;;;;/m11......../s1
InChIKeyBEGVUHYIGRMGCA-YOOGVGMTSA-L
MW1231.41 g/mol
LogP10.52
Rot. Bonds4

About CID 11491792

CID 11491792 (PubChem CID 11491792) has the molecular formula C40H56Fe2I2N2O2Pd2Si2+4 and a molecular weight of 1231.41 g/mol.

Molecular Properties

Compound NameCID 11491792
PubChem CID11491792
Molecular FormulaC40H56Fe2I2N2O2Pd2Si2+4
Molecular Weight1231.41 g/mol
Exact Mass1229.87
IUPAC Name—
SMILESCC(C)(C)[C@H]1COC([C]2[C-][CH][CH][C]2[Si](C)(C)C)=N1.CC(C)(C)[C@H]1COC([C]2[C-][CH][CH][C]2[Si](C)(C)C)=N1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2].[Pd+]I.[Pd+]I
InChIInChI=1S/2C15H23NOSi.2C5H5.2Fe.2HI.2Pd/c2*1-15(2,3)13-10-17-14(16-13)11-8-7-9-12(11)18(4,5)6;2*1-2-4-5-3-1;;;;;;/h2*7,9,13H,10H2,1-6H3;2*1-5H;;;2*1H;;/q2*-1;;;2*+2;;;2*+2/p-2/t2*13-;;;;;;;;/m11......../s1
InChIKeyBEGVUHYIGRMGCA-YOOGVGMTSA-L
XLogP10.52
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001231.41
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 11491792?
The IUPAC name of CID 11491792 (CID 11491792) is not available.
What is the SMILES notation for CID 11491792?
The canonical SMILES for CID 11491792 is CC(C)(C)[C@H]1COC([C]2[C-][CH][CH][C]2[Si](C)(C)C)=N1.CC(C)(C)[C@H]1COC([C]2[C-][CH][CH][C]2[Si](C)(C)C)=N1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].[Fe+2].[Pd+]I.[Pd+]I.
What is the InChIKey of CID 11491792?
The InChIKey is BEGVUHYIGRMGCA-YOOGVGMTSA-L. The full InChI is InChI=1S/2C15H23NOSi.2C5H5.2Fe.2HI.2Pd/c2*1-15(2,3)13-10-17-14(16-13)11-8-7-9-12(11)18(4,5)6;2*1-2-4-5-3-1;;;;;;/h2*7,9,13H,10H2,1-6H3;2*1-5H;;;2*1H;;/q2*-1;;;2*+2;;;2*+2/p-2/t2*13-;;;;;;;;/m11......../s1.
What are the key properties of CID 11491792?
CID 11491792 has a molecular weight of 1231.41 g/mol, XLogP of 10.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11491792 is sourced from PubChem (CID 11491792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).