CID 173190386

C52H52HfSi-2 — CID 173190386

IUPAC—
SMILESCCC(C)c1ccccc1-c1cccc2[cH-]c(-c3ccccc3)cc12.CCC(C)c1ccccc1-c1cccc2[cH-]c(-c3ccccc3)cc12.C[Si]C.[Hf]
InChIInChI=1S/2C25H23.C2H6Si.Hf/c2*1-3-18(2)22-13-7-8-14-23(22)24-15-9-12-20-16-21(17-25(20)24)19-10-5-4-6-11-19;1-3-2;/h2*4-18H,3H2,1-2H3;1-2H3;/q2*-1;;
InChIKeyUNNJSBAZLDYGBA-UHFFFAOYSA-N
MW883.56 g/mol
LogP15.60
Rot. Bonds8

About CID 173190386

CID 173190386 (PubChem CID 173190386) has the molecular formula C52H52HfSi-2 and a molecular weight of 883.56 g/mol.

Molecular Properties

Compound NameCID 173190386
PubChem CID173190386
Molecular FormulaC52H52HfSi-2
Molecular Weight883.56 g/mol
Exact Mass884.33
IUPAC Name—
SMILESCCC(C)c1ccccc1-c1cccc2[cH-]c(-c3ccccc3)cc12.CCC(C)c1ccccc1-c1cccc2[cH-]c(-c3ccccc3)cc12.C[Si]C.[Hf]
InChIInChI=1S/2C25H23.C2H6Si.Hf/c2*1-3-18(2)22-13-7-8-14-23(22)24-15-9-12-20-16-21(17-25(20)24)19-10-5-4-6-11-19;1-3-2;/h2*4-18H,3H2,1-2H3;1-2H3;/q2*-1;;
InChIKeyUNNJSBAZLDYGBA-UHFFFAOYSA-N
XLogP15.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.56
LogP ≤ 515.60
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 173190100
CID 173190100
CID 173190105
CID 173190105
CID 173189989
CID 173189989
CID 173190173
CID 173190173
CID 87906305
CID 87906305
CID 173190387
CID 173190387
CID 173190423
CID 173190423
bis(dimethylsilylidenezirconium(2+));tetrakis(2,4-diphenyl-1H-inden-1-ide);dichloride
CID 22602504
CID 173178428
CID 173178428
dimethylsilylidenetitanium(2+);bis(2,4-diphenyl-1H-inden-1-ide);dichloride
CID 158536405
CID 173190314
CID 173190314
CID 87398743
CID 87398743

Frequently Asked Questions

What is the IUPAC name of CID 173190386?
The IUPAC name of CID 173190386 (CID 173190386) is not available.
What is the SMILES notation for CID 173190386?
The canonical SMILES for CID 173190386 is CCC(C)c1ccccc1-c1cccc2[cH-]c(-c3ccccc3)cc12.CCC(C)c1ccccc1-c1cccc2[cH-]c(-c3ccccc3)cc12.C[Si]C.[Hf].
What is the InChIKey of CID 173190386?
The InChIKey is UNNJSBAZLDYGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H23.C2H6Si.Hf/c2*1-3-18(2)22-13-7-8-14-23(22)24-15-9-12-20-16-21(17-25(20)24)19-10-5-4-6-11-19;1-3-2;/h2*4-18H,3H2,1-2H3;1-2H3;/q2*-1;;.
What are the key properties of CID 173190386?
CID 173190386 has a molecular weight of 883.56 g/mol, XLogP of 15.60, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173190386 is sourced from PubChem (CID 173190386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).