bis[2-ethyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]-methyl-phenylsilane;carbanide;zirconium(4+)

C43H58SiZr — CID 173263471

About bis[2-ethyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]-methyl-phenylsilane;carbanide;zirconium(4+)

bis[2-ethyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]-methyl-phenylsilane;carbanide;zirconium(4+) (PubChem CID 173263471) has the molecular formula C43H58SiZr and a molecular weight of 694.25 g/mol. Its IUPAC name is bis[2-ethyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]-methyl-phenylsilane;carbanide;zirconium(4+).

Molecular Properties

• Compound Name: bis[2-ethyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]-methyl-phenylsilane;carbanide;zirconium(4+)
• PubChem CID: 173263471
• Molecular Formula: C43H58SiZr
• Molecular Weight: 694.25 g/mol
• Exact Mass: 692.34
• IUPAC Name: bis[2-ethyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]-methyl-phenylsilane;carbanide;zirconium(4+)
• SMILES: CCc1[cH-]c2cc(C(C)C)cc(C(C)C)c2c1[Si](C)(c1ccccc1)c1c(CC)[cH-]c2cc(C(C)C)cc(C(C)C)c12.[CH3-].[CH3-].[Zr+4]
• InChI: InChI=1S/C41H52Si.2CH3.Zr/c1-12-29-19-33-21-31(25(3)4)23-36(27(7)8)38(33)40(29)42(11,35-17-15-14-16-18-35)41-30(13-2)20-34-22-32(26(5)6)24-37(28(9)10)39(34)41;;;/h14-28H,12-13H2,1-11H3;2*1H3;/q-2;2*-1;+4
• InChIKey: HJHZFZPKMGZOJN-UHFFFAOYSA-N
• XLogP: 11.05
• TPSA: 0.00 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	694.25
LogP ≤ 5	11.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis[2-ethyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]-methyl-phenylsilane;carbanide;zirconium(4+)?

The IUPAC name of bis[2-ethyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]-methyl-phenylsilane;carbanide;zirconium(4+) (CID 173263471) is bis[2-ethyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]-methyl-phenylsilane;carbanide;zirconium(4+).

What is the SMILES notation for bis[2-ethyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]-methyl-phenylsilane;carbanide;zirconium(4+)?

The canonical SMILES for bis[2-ethyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]-methyl-phenylsilane;carbanide;zirconium(4+) is CCc1[cH-]c2cc(C(C)C)cc(C(C)C)c2c1[Si](C)(c1ccccc1)c1c(CC)[cH-]c2cc(C(C)C)cc(C(C)C)c12.[CH3-].[CH3-].[Zr+4].

What is the InChIKey of bis[2-ethyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]-methyl-phenylsilane;carbanide;zirconium(4+)?

The InChIKey is HJHZFZPKMGZOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H52Si.2CH3.Zr/c1-12-29-19-33-21-31(25(3)4)23-36(27(7)8)38(33)40(29)42(11,35-17-15-14-16-18-35)41-30(13-2)20-34-22-32(26(5)6)24-37(28(9)10)39(34)41;;;/h14-28H,12-13H2,1-11H3;2*1H3;/q-2;2*-1;+4.

What are the key properties of bis[2-ethyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]-methyl-phenylsilane;carbanide;zirconium(4+)?

bis[2-ethyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]-methyl-phenylsilane;carbanide;zirconium(4+) has a molecular weight of 694.25 g/mol, XLogP of 11.05, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for bis[2-ethyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]-methyl-phenylsilane;carbanide;zirconium(4+) is sourced from PubChem (CID 173263471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).