CID 11093162

C26H34Cl2N2Si2Zr+ — CID 11093162

IUPAC—
SMILESC[Si](C)(C)/N=C(/C=C(\[N-][Si](C)(C)C)c1ccccc1)c1ccccc1.Cl[Zr+2]Cl.[CH]1[CH][CH][CH][CH]1
InChIInChI=1S/C21H29N2Si2.C5H5.2ClH.Zr/c1-24(2,3)22-20(18-13-9-7-10-14-18)17-21(23-25(4,5)6)19-15-11-8-12-16-19;1-2-4-5-3-1;;;/h7-17H,1-6H3;1-5H;2*1H;/q-1;;;;+4/p-2/b20-17-,23-21-;;;;
InChIKeyDOKMSRABXKCXFQ-VRWNYIIJSA-L
MW592.87 g/mol
LogP8.96
Rot. Bonds6

About CID 11093162

CID 11093162 (PubChem CID 11093162) has the molecular formula C26H34Cl2N2Si2Zr+ and a molecular weight of 592.87 g/mol.

Molecular Properties

Compound NameCID 11093162
PubChem CID11093162
Molecular FormulaC26H34Cl2N2Si2Zr+
Molecular Weight592.87 g/mol
Exact Mass590.07
IUPAC Name—
SMILESC[Si](C)(C)/N=C(/C=C(\[N-][Si](C)(C)C)c1ccccc1)c1ccccc1.Cl[Zr+2]Cl.[CH]1[CH][CH][CH][CH]1
InChIInChI=1S/C21H29N2Si2.C5H5.2ClH.Zr/c1-24(2,3)22-20(18-13-9-7-10-14-18)17-21(23-25(4,5)6)19-15-11-8-12-16-19;1-2-4-5-3-1;;;/h7-17H,1-6H3;1-5H;2*1H;/q-1;;;;+4/p-2/b20-17-,23-21-;;;;
InChIKeyDOKMSRABXKCXFQ-VRWNYIIJSA-L
XLogP8.96
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.87
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 11093162?
The IUPAC name of CID 11093162 (CID 11093162) is not available.
What is the SMILES notation for CID 11093162?
The canonical SMILES for CID 11093162 is C[Si](C)(C)/N=C(/C=C(\[N-][Si](C)(C)C)c1ccccc1)c1ccccc1.Cl[Zr+2]Cl.[CH]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 11093162?
The InChIKey is DOKMSRABXKCXFQ-VRWNYIIJSA-L. The full InChI is InChI=1S/C21H29N2Si2.C5H5.2ClH.Zr/c1-24(2,3)22-20(18-13-9-7-10-14-18)17-21(23-25(4,5)6)19-15-11-8-12-16-19;1-2-4-5-3-1;;;/h7-17H,1-6H3;1-5H;2*1H;/q-1;;;;+4/p-2/b20-17-,23-21-;;;;.
What are the key properties of CID 11093162?
CID 11093162 has a molecular weight of 592.87 g/mol, XLogP of 8.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11093162 is sourced from PubChem (CID 11093162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).