dichlorozirconium;[3-(5-ethyl-2-phenyl-1H-inden-1-id-4-yl)-5-trimethylsilylphenyl]-trimethylsilane

C29H35Cl2Si2Zr- — CID 87884173

IUPACdichlorozirconium;[3-(5-ethyl-2-phenyl-1H-inden-1-id-4-yl)-5-trimethylsilylphenyl]-trimethylsilane
SMILESCCc1ccc2[cH-]c(-c3ccccc3)cc2c1-c1cc([Si](C)(C)C)cc([Si](C)(C)C)c1.Cl[Zr]Cl
InChIInChI=1S/C29H35Si2.2ClH.Zr/c1-8-21-14-15-23-16-24(22-12-10-9-11-13-22)19-28(23)29(21)25-17-26(30(2,3)4)20-27(18-25)31(5,6)7;;;/h9-20H,8H2,1-7H3;2*1H;/q-1;;;+2/p-2
InChIKeyGXTAWKCJULTCBY-UHFFFAOYSA-L
MW601.90 g/mol
LogP8.92
Rot. Bonds5

About dichlorozirconium;[3-(5-ethyl-2-phenyl-1H-inden-1-id-4-yl)-5-trimethylsilylphenyl]-trimethylsilane

dichlorozirconium;[3-(5-ethyl-2-phenyl-1H-inden-1-id-4-yl)-5-trimethylsilylphenyl]-trimethylsilane (PubChem CID 87884173) has the molecular formula C29H35Cl2Si2Zr- and a molecular weight of 601.90 g/mol. Its IUPAC name is dichlorozirconium;[3-(5-ethyl-2-phenyl-1H-inden-1-id-4-yl)-5-trimethylsilylphenyl]-trimethylsilane.

Molecular Properties

Compound Namedichlorozirconium;[3-(5-ethyl-2-phenyl-1H-inden-1-id-4-yl)-5-trimethylsilylphenyl]-trimethylsilane
PubChem CID87884173
Molecular FormulaC29H35Cl2Si2Zr-
Molecular Weight601.90 g/mol
Exact Mass599.07
IUPAC Namedichlorozirconium;[3-(5-ethyl-2-phenyl-1H-inden-1-id-4-yl)-5-trimethylsilylphenyl]-trimethylsilane
SMILESCCc1ccc2[cH-]c(-c3ccccc3)cc2c1-c1cc([Si](C)(C)C)cc([Si](C)(C)C)c1.Cl[Zr]Cl
InChIInChI=1S/C29H35Si2.2ClH.Zr/c1-8-21-14-15-23-16-24(22-12-10-9-11-13-22)19-28(23)29(21)25-17-26(30(2,3)4)20-27(18-25)31(5,6)7;;;/h9-20H,8H2,1-7H3;2*1H;/q-1;;;+2/p-2
InChIKeyGXTAWKCJULTCBY-UHFFFAOYSA-L
XLogP8.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.90
LogP ≤ 58.92
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 173178033
CID 173178033
CID 173178161
CID 173178161
CID 87702997
CID 87702997
CID 173178428
CID 173178428
dichlorozirconium;2-phenyl-4-(2-propan-2-ylphenyl)-5-propyl-1H-inden-1-ide
CID 87884211
CID 87703286
CID 87703286
[3-(5-tert-butyl-2-ethyl-1H-inden-1-id-4-yl)-5-trimethylsilylphenyl]-trimethylsilane;dichlorozirconium
CID 87884197
CID 173178313
CID 173178313
CID 173178114
CID 173178114
CID 87703413
CID 87703413
CID 173178343
CID 173178343
CID 173178358
CID 173178358

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;[3-(5-ethyl-2-phenyl-1H-inden-1-id-4-yl)-5-trimethylsilylphenyl]-trimethylsilane?
The IUPAC name of dichlorozirconium;[3-(5-ethyl-2-phenyl-1H-inden-1-id-4-yl)-5-trimethylsilylphenyl]-trimethylsilane (CID 87884173) is dichlorozirconium;[3-(5-ethyl-2-phenyl-1H-inden-1-id-4-yl)-5-trimethylsilylphenyl]-trimethylsilane.
What is the SMILES notation for dichlorozirconium;[3-(5-ethyl-2-phenyl-1H-inden-1-id-4-yl)-5-trimethylsilylphenyl]-trimethylsilane?
The canonical SMILES for dichlorozirconium;[3-(5-ethyl-2-phenyl-1H-inden-1-id-4-yl)-5-trimethylsilylphenyl]-trimethylsilane is CCc1ccc2[cH-]c(-c3ccccc3)cc2c1-c1cc([Si](C)(C)C)cc([Si](C)(C)C)c1.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;[3-(5-ethyl-2-phenyl-1H-inden-1-id-4-yl)-5-trimethylsilylphenyl]-trimethylsilane?
The InChIKey is GXTAWKCJULTCBY-UHFFFAOYSA-L. The full InChI is InChI=1S/C29H35Si2.2ClH.Zr/c1-8-21-14-15-23-16-24(22-12-10-9-11-13-22)19-28(23)29(21)25-17-26(30(2,3)4)20-27(18-25)31(5,6)7;;;/h9-20H,8H2,1-7H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of dichlorozirconium;[3-(5-ethyl-2-phenyl-1H-inden-1-id-4-yl)-5-trimethylsilylphenyl]-trimethylsilane?
dichlorozirconium;[3-(5-ethyl-2-phenyl-1H-inden-1-id-4-yl)-5-trimethylsilylphenyl]-trimethylsilane has a molecular weight of 601.90 g/mol, XLogP of 8.92, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;[3-(5-ethyl-2-phenyl-1H-inden-1-id-4-yl)-5-trimethylsilylphenyl]-trimethylsilane is sourced from PubChem (CID 87884173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).