CID 173002621

C52H68Cl2Hf2Si3-2 — CID 173002621

IUPAC—
SMILESC[Si](C)C.C[Si](C)C.C[Si]C.Cc1ccc(C)c2[cH-]ccc12.Cc1ccc(C)c2[cH-]ccc12.Cc1ccc(C)c2[cH-]ccc12.Cc1ccc(C)c2[cH-]ccc12.[Cl-].[Cl-].[Hf+4].[Hf]
InChIInChI=1S/4C11H11.2C3H9Si.C2H6Si.2ClH.2Hf/c4*1-8-6-7-9(2)11-5-3-4-10(8)11;2*1-4(2)3;1-3-2;;;;/h4*3-7H,1-2H3;2*1-3H3;1-2H3;2*1H;;/q4*-1;;;;;;;+4/p-2
InChIKeyWQMZNWYALIGKDK-UHFFFAOYSA-L
MW1205.26 g/mol
LogP10.23
Rot. Bonds

About CID 173002621

CID 173002621 (PubChem CID 173002621) has the molecular formula C52H68Cl2Hf2Si3-2 and a molecular weight of 1205.26 g/mol.

Molecular Properties

Compound NameCID 173002621
PubChem CID173002621
Molecular FormulaC52H68Cl2Hf2Si3-2
Molecular Weight1205.26 g/mol
Exact Mass1206.29
IUPAC Name—
SMILESC[Si](C)C.C[Si](C)C.C[Si]C.Cc1ccc(C)c2[cH-]ccc12.Cc1ccc(C)c2[cH-]ccc12.Cc1ccc(C)c2[cH-]ccc12.Cc1ccc(C)c2[cH-]ccc12.[Cl-].[Cl-].[Hf+4].[Hf]
InChIInChI=1S/4C11H11.2C3H9Si.C2H6Si.2ClH.2Hf/c4*1-8-6-7-9(2)11-5-3-4-10(8)11;2*1-4(2)3;1-3-2;;;;/h4*3-7H,1-2H3;2*1-3H3;1-2H3;2*1H;;/q4*-1;;;;;;;+4/p-2
InChIKeyWQMZNWYALIGKDK-UHFFFAOYSA-L
XLogP10.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001205.26
LogP ≤ 510.23
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 173002621 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

bis(4,7-dimethyl-1H-inden-1-ide);dimethylsilylidenehafnium(2+)
CID 175999489
4,7-dimethyl-1H-inden-1-ide;scandium
CID 151166437
bis(4,7-dimethyl-1H-inden-1-ide);methylidenehafnium(2+);dichloride
CID 159766083
bis(4,7-dimethyl-1H-inden-1-ide);zirconium(4+);difluoride
CID 87203456
4,7-dimethyl-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium(4+);dichloride
CID 175762444
CID 173001615
CID 173001615
4,7-dimethyl-1H-inden-1-ide;hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane
CID 87830434
4,7-dimethyl-1H-inden-1-ide;1,2,3,5-tetramethyl-4-propylcyclopenta-1,3-diene;zirconium(4+);diiodide
CID 172780539
bis(4,7-dimethyl-1H-inden-1-ide);bis(1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane);bis(titanium(2+));dichloride
CID 21095973
4,7-dimethyl-1H-inden-1-ide;inden-1-id-1-yl-(2-methylphenyl)phosphane;titanium(2+)
CID 21096442
bis(di(butan-2-yl)-(1H-inden-1-id-2-yl)phosphane);bis(4,7-dimethyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 21096367
tetrakis(4,7-dimethoxy-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 23296868

Frequently Asked Questions

What is the IUPAC name of CID 173002621?
The IUPAC name of CID 173002621 (CID 173002621) is not available.
What is the SMILES notation for CID 173002621?
The canonical SMILES for CID 173002621 is C[Si](C)C.C[Si](C)C.C[Si]C.Cc1ccc(C)c2[cH-]ccc12.Cc1ccc(C)c2[cH-]ccc12.Cc1ccc(C)c2[cH-]ccc12.Cc1ccc(C)c2[cH-]ccc12.[Cl-].[Cl-].[Hf+4].[Hf].
What is the InChIKey of CID 173002621?
The InChIKey is WQMZNWYALIGKDK-UHFFFAOYSA-L. The full InChI is InChI=1S/4C11H11.2C3H9Si.C2H6Si.2ClH.2Hf/c4*1-8-6-7-9(2)11-5-3-4-10(8)11;2*1-4(2)3;1-3-2;;;;/h4*3-7H,1-2H3;2*1-3H3;1-2H3;2*1H;;/q4*-1;;;;;;;+4/p-2.
What are the key properties of CID 173002621?
CID 173002621 has a molecular weight of 1205.26 g/mol, XLogP of 10.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173002621 is sourced from PubChem (CID 173002621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).