CID 90234069

C32H32Cl2SiZr-4 — CID 90234069

IUPAC—
SMILESCc1ccc2c(c1)[cH-]c1cccc(C)c12.Cl.Cl.[CH3-].[CH3-].[Si]=[Zr].c1ccc(-c2c[cH-]c3ccccc23)cc1
InChIInChI=1S/C15H13.C15H11.2CH3.2ClH.Si.Zr/c1-10-6-7-14-13(8-10)9-12-5-3-4-11(2)15(12)14;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;;;;;;/h3-9H,1-2H3;1-11H;2*1H3;2*1H;;/q4*-1;;;;
InChIKeyZUTZCUHBDAAPEK-UHFFFAOYSA-N
MW606.82 g/mol
LogP9.92
Rot. Bonds1

About CID 90234069

CID 90234069 (PubChem CID 90234069) has the molecular formula C32H32Cl2SiZr-4 and a molecular weight of 606.82 g/mol.

Molecular Properties

Compound NameCID 90234069
PubChem CID90234069
Molecular FormulaC32H32Cl2SiZr-4
Molecular Weight606.82 g/mol
Exact Mass604.07
IUPAC Name—
SMILESCc1ccc2c(c1)[cH-]c1cccc(C)c12.Cl.Cl.[CH3-].[CH3-].[Si]=[Zr].c1ccc(-c2c[cH-]c3ccccc23)cc1
InChIInChI=1S/C15H13.C15H11.2CH3.2ClH.Si.Zr/c1-10-6-7-14-13(8-10)9-12-5-3-4-11(2)15(12)14;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;;;;;;/h3-9H,1-2H3;1-11H;2*1H3;2*1H;;/q4*-1;;;;
InChIKeyZUTZCUHBDAAPEK-UHFFFAOYSA-N
XLogP9.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.82
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 90234069?
The IUPAC name of CID 90234069 (CID 90234069) is not available.
What is the SMILES notation for CID 90234069?
The canonical SMILES for CID 90234069 is Cc1ccc2c(c1)[cH-]c1cccc(C)c12.Cl.Cl.[CH3-].[CH3-].[Si]=[Zr].c1ccc(-c2c[cH-]c3ccccc23)cc1.
What is the InChIKey of CID 90234069?
The InChIKey is ZUTZCUHBDAAPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13.C15H11.2CH3.2ClH.Si.Zr/c1-10-6-7-14-13(8-10)9-12-5-3-4-11(2)15(12)14;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;;;;;;/h3-9H,1-2H3;1-11H;2*1H3;2*1H;;/q4*-1;;;;.
What are the key properties of CID 90234069?
CID 90234069 has a molecular weight of 606.82 g/mol, XLogP of 9.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90234069 is sourced from PubChem (CID 90234069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).