CID 173088651

C50H64Cl2Si3Zr — CID 173088651

IUPAC—
SMILESC[Si](C)(C)c1ccc(-c2cccc3[cH-]c(CC4CCCC4)cc23)cc1.C[Si](C)(C)c1ccc(-c2cccc3[cH-]c(CC4CCCC4)cc23)cc1.C[Si]C.Cl[Zr+2]Cl
InChIInChI=1S/2C24H29Si.C2H6Si.2ClH.Zr/c2*1-25(2,3)22-13-11-20(12-14-22)23-10-6-9-21-16-19(17-24(21)23)15-18-7-4-5-8-18;1-3-2;;;/h2*6,9-14,16-18H,4-5,7-8,15H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeySJTZBHDABYFJJT-UHFFFAOYSA-L
MW911.45 g/mol
LogP15.17
Rot. Bonds8

About CID 173088651

CID 173088651 (PubChem CID 173088651) has the molecular formula C50H64Cl2Si3Zr and a molecular weight of 911.45 g/mol.

Molecular Properties

Compound NameCID 173088651
PubChem CID173088651
Molecular FormulaC50H64Cl2Si3Zr
Molecular Weight911.45 g/mol
Exact Mass908.27
IUPAC Name—
SMILESC[Si](C)(C)c1ccc(-c2cccc3[cH-]c(CC4CCCC4)cc23)cc1.C[Si](C)(C)c1ccc(-c2cccc3[cH-]c(CC4CCCC4)cc23)cc1.C[Si]C.Cl[Zr+2]Cl
InChIInChI=1S/2C24H29Si.C2H6Si.2ClH.Zr/c2*1-25(2,3)22-13-11-20(12-14-22)23-10-6-9-21-16-19(17-24(21)23)15-18-7-4-5-8-18;1-3-2;;;/h2*6,9-14,16-18H,4-5,7-8,15H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeySJTZBHDABYFJJT-UHFFFAOYSA-L
XLogP15.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.45
LogP ≤ 515.17
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

[4-[2-(cycloheptylmethyl)-1H-inden-1-id-4-yl]phenyl]-trimethylsilane;dichlorozirconium
CID 89453317
CID 173088370
CID 173088370
CID 173087882
CID 173087882
CID 173068527
CID 173068527
CID 173068228
CID 173068228
CID 173088057
CID 173088057
CID 173133604
CID 173133604
CID 173133772
CID 173133772
4-(4-butan-2-ylphenyl)-2-(cycloheptylmethyl)-1H-inden-1-ide;zirconium;dihydrochloride
CID 89463920
CID 173016305
CID 173016305
CID 87323249
CID 87323249
bis(dimethylsilylidenezirconium(2+));tetrakis([4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]-trimethylsilane);dichloride
CID 18008255

Frequently Asked Questions

What is the IUPAC name of CID 173088651?
The IUPAC name of CID 173088651 (CID 173088651) is not available.
What is the SMILES notation for CID 173088651?
The canonical SMILES for CID 173088651 is C[Si](C)(C)c1ccc(-c2cccc3[cH-]c(CC4CCCC4)cc23)cc1.C[Si](C)(C)c1ccc(-c2cccc3[cH-]c(CC4CCCC4)cc23)cc1.C[Si]C.Cl[Zr+2]Cl.
What is the InChIKey of CID 173088651?
The InChIKey is SJTZBHDABYFJJT-UHFFFAOYSA-L. The full InChI is InChI=1S/2C24H29Si.C2H6Si.2ClH.Zr/c2*1-25(2,3)22-13-11-20(12-14-22)23-10-6-9-21-16-19(17-24(21)23)15-18-7-4-5-8-18;1-3-2;;;/h2*6,9-14,16-18H,4-5,7-8,15H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173088651?
CID 173088651 has a molecular weight of 911.45 g/mol, XLogP of 15.17, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173088651 is sourced from PubChem (CID 173088651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).