CID 87847665

C28H36Cl2SiZr-4 — CID 87847665

IUPAC—
SMILESCCCc1cccc2[cH-]c(C)cc12.CCCc1cccc2[cH-]c(C)cc12.[CH3-].[CH3-].[Cl-].[Cl-].[Si]=[Zr+2]
InChIInChI=1S/2C13H15.2CH3.2ClH.Si.Zr/c2*1-3-5-11-6-4-7-12-8-10(2)9-13(11)12;;;;;;/h2*4,6-9H,3,5H2,1-2H3;2*1H3;2*1H;;/q4*-1;;;;+2/p-2
InChIKeyAZDFHPYVZGGFJX-UHFFFAOYSA-L
MW562.81 g/mol
LogP2.16
Rot. Bonds4

About CID 87847665

CID 87847665 (PubChem CID 87847665) has the molecular formula C28H36Cl2SiZr-4 and a molecular weight of 562.81 g/mol.

Molecular Properties

Compound NameCID 87847665
PubChem CID87847665
Molecular FormulaC28H36Cl2SiZr-4
Molecular Weight562.81 g/mol
Exact Mass560.10
IUPAC Name—
SMILESCCCc1cccc2[cH-]c(C)cc12.CCCc1cccc2[cH-]c(C)cc12.[CH3-].[CH3-].[Cl-].[Cl-].[Si]=[Zr+2]
InChIInChI=1S/2C13H15.2CH3.2ClH.Si.Zr/c2*1-3-5-11-6-4-7-12-8-10(2)9-13(11)12;;;;;;/h2*4,6-9H,3,5H2,1-2H3;2*1H3;2*1H;;/q4*-1;;;;+2/p-2
InChIKeyAZDFHPYVZGGFJX-UHFFFAOYSA-L
XLogP2.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.81
LogP ≤ 52.16
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 87847665 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

2-methyl-4-propyl-1H-inden-1-ide;zirconium
CID 174349249
4-ethyl-2-methyl-1H-inden-1-ide;tetramethylsilane;zirconium
CID 174376953
2,6-dimethyl-4-propyl-1H-inden-1-ide;zirconium(3+);dichloride
CID 172812508
CID 87847849
CID 87847849
bis(2,4-dimethyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 18538203
7-ethyl-2-methyl-4-propyl-1H-inden-1-ide;zirconium(3+);dibromide
CID 161230348
CID 173314158
CID 173314158
CID 173314324
CID 173314324
CID 173161432
CID 173161432
2,4-diethyl-1H-inden-1-ide;hafnium;dichloride
CID 159398719
CID 87846971
CID 87846971
CID 87106842
CID 87106842

Frequently Asked Questions

What is the IUPAC name of CID 87847665?
The IUPAC name of CID 87847665 (CID 87847665) is not available.
What is the SMILES notation for CID 87847665?
The canonical SMILES for CID 87847665 is CCCc1cccc2[cH-]c(C)cc12.CCCc1cccc2[cH-]c(C)cc12.[CH3-].[CH3-].[Cl-].[Cl-].[Si]=[Zr+2].
What is the InChIKey of CID 87847665?
The InChIKey is AZDFHPYVZGGFJX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H15.2CH3.2ClH.Si.Zr/c2*1-3-5-11-6-4-7-12-8-10(2)9-13(11)12;;;;;;/h2*4,6-9H,3,5H2,1-2H3;2*1H3;2*1H;;/q4*-1;;;;+2/p-2.
What are the key properties of CID 87847665?
CID 87847665 has a molecular weight of 562.81 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87847665 is sourced from PubChem (CID 87847665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).