CID 11192525

C32H37FeNO2SSi+2 — CID 11192525

IUPAC—
SMILESCC(C)(C)[Si](C)(C)O[C@@H](c1ccccc1)[C@@H]1COC([C]2[CH][CH][CH][C]2Sc2ccccc2)=N1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C27H32NO2SSi.C5H5.Fe/c1-27(2,3)32(4,5)30-25(20-13-8-6-9-14-20)23-19-29-26(28-23)22-17-12-18-24(22)31-21-15-10-7-11-16-21;1-2-4-5-3-1;/h6-18,23,25H,19H2,1-5H3;1-5H;/q;;+2/t23-,25-;;/m0../s1
InChIKeyZXWPAHOATLMPSN-WYBXAQPNSA-N
MW583.65 g/mol
LogP8.09
Rot. Bonds7

About CID 11192525

CID 11192525 (PubChem CID 11192525) has the molecular formula C32H37FeNO2SSi+2 and a molecular weight of 583.65 g/mol.

Molecular Properties

Compound NameCID 11192525
PubChem CID11192525
Molecular FormulaC32H37FeNO2SSi+2
Molecular Weight583.65 g/mol
Exact Mass583.17
IUPAC Name—
SMILESCC(C)(C)[Si](C)(C)O[C@@H](c1ccccc1)[C@@H]1COC([C]2[CH][CH][CH][C]2Sc2ccccc2)=N1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C27H32NO2SSi.C5H5.Fe/c1-27(2,3)32(4,5)30-25(20-13-8-6-9-14-20)23-19-29-26(28-23)22-17-12-18-24(22)31-21-15-10-7-11-16-21;1-2-4-5-3-1;/h6-18,23,25H,19H2,1-5H3;1-5H;/q;;+2/t23-,25-;;/m0../s1
InChIKeyZXWPAHOATLMPSN-WYBXAQPNSA-N
XLogP8.09
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.65
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 11192525?
The IUPAC name of CID 11192525 (CID 11192525) is not available.
What is the SMILES notation for CID 11192525?
The canonical SMILES for CID 11192525 is CC(C)(C)[Si](C)(C)O[C@@H](c1ccccc1)[C@@H]1COC([C]2[CH][CH][CH][C]2Sc2ccccc2)=N1.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 11192525?
The InChIKey is ZXWPAHOATLMPSN-WYBXAQPNSA-N. The full InChI is InChI=1S/C27H32NO2SSi.C5H5.Fe/c1-27(2,3)32(4,5)30-25(20-13-8-6-9-14-20)23-19-29-26(28-23)22-17-12-18-24(22)31-21-15-10-7-11-16-21;1-2-4-5-3-1;/h6-18,23,25H,19H2,1-5H3;1-5H;/q;;+2/t23-,25-;;/m0../s1.
What are the key properties of CID 11192525?
CID 11192525 has a molecular weight of 583.65 g/mol, XLogP of 8.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11192525 is sourced from PubChem (CID 11192525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).