6-tert-butyl-4-(4-tert-butylphenyl)-1-[[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;6-tert-butyl-1-[[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;bis(dichlorozirconium(2+))

C92H144Cl4O2Zr2 — CID 162294681

About 6-tert-butyl-4-(4-tert-butylphenyl)-1-[[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;6-tert-butyl-1-[[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;bis(dichlorozirconium(2+))

6-tert-butyl-4-(4-tert-butylphenyl)-1-[[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;6-tert-butyl-1-[[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;bis(dichlorozirconium(2+)) (PubChem CID 162294681) has the molecular formula C92H144Cl4O2Zr2 and a molecular weight of 1606.42 g/mol. Its IUPAC name is 6-tert-butyl-4-(4-tert-butylphenyl)-1-[[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;6-tert-butyl-1-[[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;bis(dichlorozirconium(2+)).

Molecular Properties

• Compound Name: 6-tert-butyl-4-(4-tert-butylphenyl)-1-[[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;6-tert-butyl-1-[[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;bis(dichlorozirconium(2+))
• PubChem CID: 162294681
• Molecular Formula: C92H144Cl4O2Zr2
• Molecular Weight: 1606.42 g/mol
• Exact Mass: 1600.80
• IUPAC Name: 6-tert-butyl-4-(4-tert-butylphenyl)-1-[[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;6-tert-butyl-1-[[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;bis(dichlorozirconium(2+))
• SMILES: COC1C(c2ccc(C(C)(C)C)cc2)C2CC(C)C(CC3C(C)CC4C(c5ccc(C(C)(C)C)cc5)CCCC34)C2CC1C(C)(C)C.COC1C(c2ccccc2)C2CC(C)C(CC3C(C)CC4C(c5ccc(C(C)(C)C)cc5)CCCC34)C2CC1C(C)(C)C.Cl[Zr+2]Cl.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-]
• InChI: InChI=1S/C46H70O.C42H62O.4CH3.4ClH.2Zr/c1-28-24-38-34(30-16-20-32(21-17-30)44(3,4)5)14-13-15-35(38)36(28)26-37-29(2)25-40-39(37)27-41(46(9,10)11)43(47-12)42(40)31-18-22-33(23-19-31)45(6,7)8;1-26-22-35-31(28-18-20-30(21-19-28)41(3,4)5)16-13-17-32(35)33(26)24-34-27(2)23-37-36(34)25-38(42(6,7)8)40(43-9)39(37)29-14-11-10-12-15-29;;;;;;;;;;/h16-23,28-29,34-43H,13-15,24-27H2,1-12H3;10-12,14-15,18-21,26-27,31-40H,13,16-17,22-25H2,1-9H3;4*1H3;4*1H;;/q;;4*-1;;;;;2*+4/p-4
• InChIKey: HOYRMMJCTUFYSP-UHFFFAOYSA-J
• XLogP: 28.42
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1606.42
LogP ≤ 5	28.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-(4-tert-butylphenyl)-1-[[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;6-tert-butyl-1-[[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;bis(dichlorozirconium(2+))?

The IUPAC name of 6-tert-butyl-4-(4-tert-butylphenyl)-1-[[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;6-tert-butyl-1-[[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;bis(dichlorozirconium(2+)) (CID 162294681) is 6-tert-butyl-4-(4-tert-butylphenyl)-1-[[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;6-tert-butyl-1-[[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;bis(dichlorozirconium(2+)).

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

The canonical SMILES for 6-tert-butyl-4-(4-tert-butylphenyl)-1-[[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;6-tert-butyl-1-[[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;bis(dichlorozirconium(2+)) is COC1C(c2ccc(C(C)(C)C)cc2)C2CC(C)C(CC3C(C)CC4C(c5ccc(C(C)(C)C)cc5)CCCC34)C2CC1C(C)(C)C.COC1C(c2ccccc2)C2CC(C)C(CC3C(C)CC4C(c5ccc(C(C)(C)C)cc5)CCCC34)C2CC1C(C)(C)C.Cl[Zr+2]Cl.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-].

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

The InChIKey is HOYRMMJCTUFYSP-UHFFFAOYSA-J. The full InChI is InChI=1S/C46H70O.C42H62O.4CH3.4ClH.2Zr/c1-28-24-38-34(30-16-20-32(21-17-30)44(3,4)5)14-13-15-35(38)36(28)26-37-29(2)25-40-39(37)27-41(46(9,10)11)43(47-12)42(40)31-18-22-33(23-19-31)45(6,7)8;1-26-22-35-31(28-18-20-30(21-19-28)41(3,4)5)16-13-17-32(35)33(26)24-34-27(2)23-37-36(34)25-38(42(6,7)8)40(43-9)39(37)29-14-11-10-12-15-29;;;;;;;;;;/h16-23,28-29,34-43H,13-15,24-27H2,1-12H3;10-12,14-15,18-21,26-27,31-40H,13,16-17,22-25H2,1-9H3;4*1H3;4*1H;;/q;;4*-1;;;;;2*+4/p-4.

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

6-tert-butyl-4-(4-tert-butylphenyl)-1-[[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;6-tert-butyl-1-[[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;bis(dichlorozirconium(2+)) has a molecular weight of 1606.42 g/mol, XLogP of 28.42, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-4-(4-tert-butylphenyl)-1-[[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-5-methoxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;6-tert-butyl-1-[[4-(4-tert-butylphenyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]methyl]-5-methoxy-2-methyl-4-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;carbanide;bis(dichlorozirconium(2+)) is sourced from PubChem (CID 162294681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).