[6-tert-butyl-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[6-tert-butyl-4-(3,5-ditert-butylphenyl)-5-methoxy-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane;[6-tert-butyl-4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane;carbanide;dichlorozirconium(2+)

C108H154Cl2OSi2Zr — CID 162286130

About [6-tert-butyl-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[6-tert-butyl-4-(3,5-ditert-butylphenyl)-5-methoxy-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane;[6-tert-butyl-4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane;carbanide;dichlorozirconium(2+)

[6-tert-butyl-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[6-tert-butyl-4-(3,5-ditert-butylphenyl)-5-methoxy-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane;[6-tert-butyl-4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane;carbanide;dichlorozirconium(2+) (PubChem CID 162286130) has the molecular formula C108H154Cl2OSi2Zr and a molecular weight of 1686.72 g/mol. Its IUPAC name is [6-tert-butyl-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[6-tert-butyl-4-(3,5-ditert-butylphenyl)-5-methoxy-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane;[6-tert-butyl-4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane;carbanide;dichlorozirconium(2+).

Molecular Properties

• Compound Name: [6-tert-butyl-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[6-tert-butyl-4-(3,5-ditert-butylphenyl)-5-methoxy-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane;[6-tert-butyl-4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane;carbanide;dichlorozirconium(2+)
• PubChem CID: 162286130
• Molecular Formula: C108H154Cl2OSi2Zr
• Molecular Weight: 1686.72 g/mol
• Exact Mass: 1683.00
• IUPAC Name: [6-tert-butyl-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[6-tert-butyl-4-(3,5-ditert-butylphenyl)-5-methoxy-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane;[6-tert-butyl-4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane;carbanide;dichlorozirconium(2+)
• SMILES: CC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cc(C)cc2C1[Si](C)(C)C1C(C)=Cc2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(C(C)(C)C)cc21.COC1=C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C2CC(C)C([Si](C)(C)C3C(C)CC4C(c5ccc(C(C)(C)C)cc5)=CC(C(C)(C)C)=CC43)C2C=C1C(C)(C)C.Cl[Zr+2]Cl.[CH3-].[CH3-]
• InChI: InChI=1S/C55H82OSi.C51H66Si.2CH3.2ClH.Zr/c1-33-25-42-41(35-21-23-37(24-22-35)51(3,4)5)30-40(54(12,13)14)31-44(42)49(33)57(19,20)50-34(2)26-43-45(50)32-46(55(15,16)17)48(56-18)47(43)36-27-38(52(6,7)8)29-39(28-36)53(9,10)11;1-31-22-40(34-18-20-36(21-19-34)48(4,5)6)42-24-32(2)46(44(42)23-31)52(16,17)47-33(3)25-43-41(29-39(30-45(43)47)51(13,14)15)35-26-37(49(7,8)9)28-38(27-35)50(10,11)12;;;;;/h21-24,27-34,42-45,49-50H,25-26H2,1-20H3;18-30,46-47H,1-17H3;2*1H3;2*1H;/q;;2*-1;;;+4/p-2
• InChIKey: BSLNKHJYYCOIOU-UHFFFAOYSA-L
• XLogP: 33.27
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1686.72
LogP ≤ 5	33.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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 [6-tert-butyl-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[6-tert-butyl-4-(3,5-ditert-butylphenyl)-5-methoxy-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane;[6-tert-butyl-4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane;carbanide;dichlorozirconium(2+)?

The IUPAC name of [6-tert-butyl-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[6-tert-butyl-4-(3,5-ditert-butylphenyl)-5-methoxy-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane;[6-tert-butyl-4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane;carbanide;dichlorozirconium(2+) (CID 162286130) is [6-tert-butyl-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[6-tert-butyl-4-(3,5-ditert-butylphenyl)-5-methoxy-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane;[6-tert-butyl-4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane;carbanide;dichlorozirconium(2+).

What is the SMILES notation for [6-tert-butyl-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[6-tert-butyl-4-(3,5-ditert-butylphenyl)-5-methoxy-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane;[6-tert-butyl-4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane;carbanide;dichlorozirconium(2+)?

The canonical SMILES for [6-tert-butyl-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[6-tert-butyl-4-(3,5-ditert-butylphenyl)-5-methoxy-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane;[6-tert-butyl-4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane;carbanide;dichlorozirconium(2+) is CC1=Cc2c(-c3ccc(C(C)(C)C)cc3)cc(C)cc2C1[Si](C)(C)C1C(C)=Cc2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(C(C)(C)C)cc21.COC1=C(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C2CC(C)C([Si](C)(C)C3C(C)CC4C(c5ccc(C(C)(C)C)cc5)=CC(C(C)(C)C)=CC43)C2C=C1C(C)(C)C.Cl[Zr+2]Cl.[CH3-].[CH3-].

What is the InChIKey of [6-tert-butyl-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[6-tert-butyl-4-(3,5-ditert-butylphenyl)-5-methoxy-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane;[6-tert-butyl-4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane;carbanide;dichlorozirconium(2+)?

The InChIKey is BSLNKHJYYCOIOU-UHFFFAOYSA-L. The full InChI is InChI=1S/C55H82OSi.C51H66Si.2CH3.2ClH.Zr/c1-33-25-42-41(35-21-23-37(24-22-35)51(3,4)5)30-40(54(12,13)14)31-44(42)49(33)57(19,20)50-34(2)26-43-45(50)32-46(55(15,16)17)48(56-18)47(43)36-27-38(52(6,7)8)29-39(28-36)53(9,10)11;1-31-22-40(34-18-20-36(21-19-34)48(4,5)6)42-24-32(2)46(44(42)23-31)52(16,17)47-33(3)25-43-41(29-39(30-45(43)47)51(13,14)15)35-26-37(49(7,8)9)28-38(27-35)50(10,11)12;;;;;/h21-24,27-34,42-45,49-50H,25-26H2,1-20H3;18-30,46-47H,1-17H3;2*1H3;2*1H;/q;;2*-1;;;+4/p-2.

What are the key properties of [6-tert-butyl-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[6-tert-butyl-4-(3,5-ditert-butylphenyl)-5-methoxy-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane;[6-tert-butyl-4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane;carbanide;dichlorozirconium(2+)?

[6-tert-butyl-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[6-tert-butyl-4-(3,5-ditert-butylphenyl)-5-methoxy-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane;[6-tert-butyl-4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane;carbanide;dichlorozirconium(2+) has a molecular weight of 1686.72 g/mol, XLogP of 33.27, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [6-tert-butyl-4-(4-tert-butylphenyl)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-[6-tert-butyl-4-(3,5-ditert-butylphenyl)-5-methoxy-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilane;[6-tert-butyl-4-(3,5-ditert-butylphenyl)-2-methyl-1H-inden-1-yl]-[4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-yl]-dimethylsilane;carbanide;dichlorozirconium(2+) is sourced from PubChem (CID 162286130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).