CID 173229784

C39H50Cl2SiZr — CID 173229784

IUPAC—
SMILESC[Si]c1ccccc1.Cc1cc2c(C(C)C)cc(C(C)C)cc2[cH-]1.Cc1cc2c(C(C)C)cc(C(C)C)cc2[cH-]1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C16H21.C7H8Si.2ClH.Zr/c2*1-10(2)13-8-14-6-12(5)7-16(14)15(9-13)11(3)4;1-8-7-5-3-2-4-6-7;;;/h2*6-11H,1-5H3;2-6H,1H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyCRBHWEZUQOTVBL-UHFFFAOYSA-L
MW709.05 g/mol
LogP5.30
Rot. Bonds5

About CID 173229784

CID 173229784 (PubChem CID 173229784) has the molecular formula C39H50Cl2SiZr and a molecular weight of 709.05 g/mol.

Molecular Properties

Compound NameCID 173229784
PubChem CID173229784
Molecular FormulaC39H50Cl2SiZr
Molecular Weight709.05 g/mol
Exact Mass706.21
IUPAC Name—
SMILESC[Si]c1ccccc1.Cc1cc2c(C(C)C)cc(C(C)C)cc2[cH-]1.Cc1cc2c(C(C)C)cc(C(C)C)cc2[cH-]1.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C16H21.C7H8Si.2ClH.Zr/c2*1-10(2)13-8-14-6-12(5)7-16(14)15(9-13)11(3)4;1-8-7-5-3-2-4-6-7;;;/h2*6-11H,1-5H3;2-6H,1H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyCRBHWEZUQOTVBL-UHFFFAOYSA-L
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.05
LogP ≤ 55.30
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

bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);tris(zirconium(4+));hexafluoride
CID 161434563
carbanide;ethene;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);zirconium(3+)
CID 161496120
dimethylsilylidenezirconium(2+);2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride
CID 159142372
dichloro(dimethylsilylidene)hafnium;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide)
CID 173247752
CID 173312539
CID 173312539
2,6-dimethyl-4-propan-2-yl-1H-inden-1-ide;zirconium(3+);dichloride
CID 174405016
CID 173325502
CID 173325502
butane;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);1-phenylpentylidenesilane;titanium(4+)
CID 150069937
CID 150666493
CID 150666493
hafnium;bis(2-methyl-4-propan-2-yl-1H-inden-1-ide)
CID 140767491
CID 173192733
CID 173192733
bis(diphenylsilylidenezirconium(2+));tetrakis(2-methyl-4-propan-2-yl-1H-inden-1-ide);dichloride
CID 18326867

Frequently Asked Questions

What is the IUPAC name of CID 173229784?
The IUPAC name of CID 173229784 (CID 173229784) is not available.
What is the SMILES notation for CID 173229784?
The canonical SMILES for CID 173229784 is C[Si]c1ccccc1.Cc1cc2c(C(C)C)cc(C(C)C)cc2[cH-]1.Cc1cc2c(C(C)C)cc(C(C)C)cc2[cH-]1.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of CID 173229784?
The InChIKey is CRBHWEZUQOTVBL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C16H21.C7H8Si.2ClH.Zr/c2*1-10(2)13-8-14-6-12(5)7-16(14)15(9-13)11(3)4;1-8-7-5-3-2-4-6-7;;;/h2*6-11H,1-5H3;2-6H,1H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173229784?
CID 173229784 has a molecular weight of 709.05 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173229784 is sourced from PubChem (CID 173229784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).