CID 87189232

C43H46Cl2SiZr-4 — CID 87189232

IUPAC—
SMILESCC(C)c1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.Cc1cc(C)cc(-c2ccc(C)c3[cH-]c(C)cc23)c1.Cl.Cl.[CH3-].[CH3-].[Si]=[Zr]
InChIInChI=1S/C22H19.C19H19.2CH3.2ClH.Si.Zr/c1-15(2)18-13-17-9-6-12-21(22(17)14-18)20-11-5-8-16-7-3-4-10-19(16)20;1-12-7-13(2)9-16(8-12)17-6-5-15(4)18-10-14(3)11-19(17)18;;;;;;/h3-15H,1-2H3;5-11H,1-4H3;2*1H3;2*1H;;/q4*-1;;;;
InChIKeyJFOKPWVTFBBGRK-UHFFFAOYSA-N
MW753.06 g/mol
LogP13.32
Rot. Bonds3

About CID 87189232

CID 87189232 (PubChem CID 87189232) has the molecular formula C43H46Cl2SiZr-4 and a molecular weight of 753.06 g/mol.

Molecular Properties

Compound NameCID 87189232
PubChem CID87189232
Molecular FormulaC43H46Cl2SiZr-4
Molecular Weight753.06 g/mol
Exact Mass750.18
IUPAC Name—
SMILESCC(C)c1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.Cc1cc(C)cc(-c2ccc(C)c3[cH-]c(C)cc23)c1.Cl.Cl.[CH3-].[CH3-].[Si]=[Zr]
InChIInChI=1S/C22H19.C19H19.2CH3.2ClH.Si.Zr/c1-15(2)18-13-17-9-6-12-21(22(17)14-18)20-11-5-8-16-7-3-4-10-19(16)20;1-12-7-13(2)9-16(8-12)17-6-5-15(4)18-10-14(3)11-19(17)18;;;;;;/h3-15H,1-2H3;5-11H,1-4H3;2*1H3;2*1H;;/q4*-1;;;;
InChIKeyJFOKPWVTFBBGRK-UHFFFAOYSA-N
XLogP13.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.06
LogP ≤ 513.32
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'}

Analyze CID 87189232 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 87188426
CID 87188426
CID 87188683
CID 87188683
1-(2,7-dimethyl-1H-inden-1-id-4-yl)naphthalene;dimethylsilylidenezirconium(2+);4-(3-methylphenyl)-2-propan-2-yl-1H-inden-1-ide;dichloride
CID 158823228
CID 87188409
CID 87188409
CID 87188940
CID 87188940
CID 87508781
CID 87508781
CID 87188856
CID 87188856
CID 87188487
CID 87188487
CID 87188978
CID 87188978
4-(4-tert-butylphenyl)-2,7-dimethyl-1H-inden-1-ide;4-(4-tert-butylphenyl)-2-propan-2-yl-1H-inden-1-ide;carbanide;methylidenezirconium;dihydrochloride
CID 87188187
1-(7-chloro-2-methyl-1H-inden-1-id-4-yl)naphthalene;1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;zirconium(4+);dichloride
CID 87421410
CID 87142411
CID 87142411

Frequently Asked Questions

What is the IUPAC name of CID 87189232?
The IUPAC name of CID 87189232 (CID 87189232) is not available.
What is the SMILES notation for CID 87189232?
The canonical SMILES for CID 87189232 is CC(C)c1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.Cc1cc(C)cc(-c2ccc(C)c3[cH-]c(C)cc23)c1.Cl.Cl.[CH3-].[CH3-].[Si]=[Zr].
What is the InChIKey of CID 87189232?
The InChIKey is JFOKPWVTFBBGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19.C19H19.2CH3.2ClH.Si.Zr/c1-15(2)18-13-17-9-6-12-21(22(17)14-18)20-11-5-8-16-7-3-4-10-19(16)20;1-12-7-13(2)9-16(8-12)17-6-5-15(4)18-10-14(3)11-19(17)18;;;;;;/h3-15H,1-2H3;5-11H,1-4H3;2*1H3;2*1H;;/q4*-1;;;;.
What are the key properties of CID 87189232?
CID 87189232 has a molecular weight of 753.06 g/mol, XLogP of 13.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87189232 is sourced from PubChem (CID 87189232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).