CID 87107741

C29H32Cl2SiZr-4 — CID 87107741

IUPAC—
SMILESCc1cc2c(C)cccc2[cH-]1.Cc1cc2c(C)cccc2[cH-]1.Cl.Cl.[CH3-].[Si]=[Zr].[c-]1ccccc1
InChIInChI=1S/2C11H11.C6H5.CH3.2ClH.Si.Zr/c2*1-8-6-10-5-3-4-9(2)11(10)7-8;1-2-4-6-5-3-1;;;;;/h2*3-7H,1-2H3;1-5H;1H3;2*1H;;/q4*-1;;;;
InChIKeyMKANADCZPFETIM-UHFFFAOYSA-N
MW570.79 g/mol
LogP8.75
Rot. Bonds

About CID 87107741

CID 87107741 (PubChem CID 87107741) has the molecular formula C29H32Cl2SiZr-4 and a molecular weight of 570.79 g/mol.

Molecular Properties

Compound NameCID 87107741
PubChem CID87107741
Molecular FormulaC29H32Cl2SiZr-4
Molecular Weight570.79 g/mol
Exact Mass568.07
IUPAC Name—
SMILESCc1cc2c(C)cccc2[cH-]1.Cc1cc2c(C)cccc2[cH-]1.Cl.Cl.[CH3-].[Si]=[Zr].[c-]1ccccc1
InChIInChI=1S/2C11H11.C6H5.CH3.2ClH.Si.Zr/c2*1-8-6-10-5-3-4-9(2)11(10)7-8;1-2-4-6-5-3-1;;;;;/h2*3-7H,1-2H3;1-5H;1H3;2*1H;;/q4*-1;;;;
InChIKeyMKANADCZPFETIM-UHFFFAOYSA-N
XLogP8.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.79
LogP ≤ 58.75
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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Related Compounds

CID 87106842
CID 87106842
bis(2,4-dimethyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 18538203
CID 87608067
CID 87608067
carbanide;cyclohexane;dichlorozirconium;bis(2,4-dimethyl-1H-inden-1-ide)
CID 173008328
CID 87107342
CID 87107342
dichloro(dimethylsilylidene)zirconium;bis(2,4-dimethyl-1H-inden-1-ide)
CID 87410533
tetrakis(2,4-dimethyl-1H-inden-1-ide);bis(diphenylsilylidenehafnium(2+));dichloride
CID 173133719
bis(2,4-dimethyl-1H-inden-1-ide);diphenylsilylidenezirconium(2+);dichloride
CID 87565955
CID 87703114
CID 87703114
CID 173063837
CID 173063837
CID 87394522
CID 87394522
2-methyl-4-(2-methylphenyl)-1H-inden-1-ide;zirconium(3+);dichloride
CID 162036346

Frequently Asked Questions

What is the IUPAC name of CID 87107741?
The IUPAC name of CID 87107741 (CID 87107741) is not available.
What is the SMILES notation for CID 87107741?
The canonical SMILES for CID 87107741 is Cc1cc2c(C)cccc2[cH-]1.Cc1cc2c(C)cccc2[cH-]1.Cl.Cl.[CH3-].[Si]=[Zr].[c-]1ccccc1.
What is the InChIKey of CID 87107741?
The InChIKey is MKANADCZPFETIM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H11.C6H5.CH3.2ClH.Si.Zr/c2*1-8-6-10-5-3-4-9(2)11(10)7-8;1-2-4-6-5-3-1;;;;;/h2*3-7H,1-2H3;1-5H;1H3;2*1H;;/q4*-1;;;;.
What are the key properties of CID 87107741?
CID 87107741 has a molecular weight of 570.79 g/mol, XLogP of 8.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87107741 is sourced from PubChem (CID 87107741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).