2,3,3a,7a-tetrahydro-1H-inden-1-yl-(2-benzyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-[3-(8,8-dimethylnonyl)cyclopentyl]-dimethylsilane;bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;carbanide;tetrakis(dichlorozirconium(2+))

C141H222Cl8O3Si4Zr4 — CID 162279418

IUPAC2,3,3a,7a-tetrahydro-1H-inden-1-yl-(2-benzyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-[3-(8,8-dimethylnonyl)cyclopentyl]-dimethylsilane;bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;carbanide;tetrakis(dichlorozirconium(2+))
SMILESCC(C)(C)CCCCCCCC1CCC([Si](C)(C)C2C3C=CC=CC3C3C=CC=CC32)C1.CC(C)(C)OCCCCCC[Si](C)(C1C2C=CC=CC2C2C=CC=CC21)C1C2C=CC=CC2C2C=CC=CC21.CC(C)(C)OCCCCCC[Si](C)(C1CCC2C=CC=CC21)C1C(Cc2ccccc2)CC2C=CC=CC21.CC(C)(C)OCCCCCC[Si](C)(C1CCC2C=CC=CC21)C1CCC2C=CC=CC21.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C37H50OSi.C36H52OSi.C31H50Si.C29H46OSi.8CH3.8ClH.4Zr/c1-37(2,3)38-25-15-5-6-16-26-39(4,35-31-21-11-7-17-27(31)28-18-8-12-22-32(28)35)36-33-23-13-9-19-29(33)30-20-10-14-24-34(30)36;1-36(2,3)37-24-14-5-6-15-25-38(4,34-23-22-29-18-10-12-20-32(29)34)35-31(26-28-16-8-7-9-17-28)27-30-19-11-13-21-33(30)35;1-31(2,3)22-14-8-6-7-9-15-24-20-21-25(23-24)32(4,5)30-28-18-12-10-16-26(28)27-17-11-13-19-29(27)30;1-29(2,3)30-21-11-5-6-12-22-31(4,27-19-17-23-13-7-9-15-25(23)27)28-20-18-24-14-8-10-16-26(24)28;;;;;;;;;;;;;;;;;;;;/h7-14,17-24,27-36H,5-6,15-16,25-26H2,1-4H3;7-13,16-21,29-35H,5-6,14-15,22-27H2,1-4H3;10-13,16-19,24-30H,6-9,14-15,20-23H2,1-5H3;7-10,13-16,23-28H,5-6,11-12,17-22H2,1-4H3;8*1H3;8*1H;;;;/q;;;;8*-1;;;;;;;;;4*+4/p-8
InChIKeyRZIGUAGCGMJEHY-UHFFFAOYSA-F
MW2726.19 g/mol
LogP46.93
Rot. Bonds38

About 2,3,3a,7a-tetrahydro-1H-inden-1-yl-(2-benzyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-[3-(8,8-dimethylnonyl)cyclopentyl]-dimethylsilane;bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;carbanide;tetrakis(dichlorozirconium(2+))

2,3,3a,7a-tetrahydro-1H-inden-1-yl-(2-benzyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-[3-(8,8-dimethylnonyl)cyclopentyl]-dimethylsilane;bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;carbanide;tetrakis(dichlorozirconium(2+)) (PubChem CID 162279418) has the molecular formula C141H222Cl8O3Si4Zr4 and a molecular weight of 2726.19 g/mol. Its IUPAC name is 2,3,3a,7a-tetrahydro-1H-inden-1-yl-(2-benzyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-[3-(8,8-dimethylnonyl)cyclopentyl]-dimethylsilane;bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;carbanide;tetrakis(dichlorozirconium(2+)).

Molecular Properties

Compound Name2,3,3a,7a-tetrahydro-1H-inden-1-yl-(2-benzyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-[3-(8,8-dimethylnonyl)cyclopentyl]-dimethylsilane;bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;carbanide;tetrakis(dichlorozirconium(2+))
PubChem CID162279418
Molecular FormulaC141H222Cl8O3Si4Zr4
Molecular Weight2726.19 g/mol
Exact Mass2715.00
IUPAC Name2,3,3a,7a-tetrahydro-1H-inden-1-yl-(2-benzyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-[3-(8,8-dimethylnonyl)cyclopentyl]-dimethylsilane;bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;carbanide;tetrakis(dichlorozirconium(2+))
SMILESCC(C)(C)CCCCCCCC1CCC([Si](C)(C)C2C3C=CC=CC3C3C=CC=CC32)C1.CC(C)(C)OCCCCCC[Si](C)(C1C2C=CC=CC2C2C=CC=CC21)C1C2C=CC=CC2C2C=CC=CC21.CC(C)(C)OCCCCCC[Si](C)(C1CCC2C=CC=CC21)C1C(Cc2ccccc2)CC2C=CC=CC21.CC(C)(C)OCCCCCC[Si](C)(C1CCC2C=CC=CC21)C1CCC2C=CC=CC21.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C37H50OSi.C36H52OSi.C31H50Si.C29H46OSi.8CH3.8ClH.4Zr/c1-37(2,3)38-25-15-5-6-16-26-39(4,35-31-21-11-7-17-27(31)28-18-8-12-22-32(28)35)36-33-23-13-9-19-29(33)30-20-10-14-24-34(30)36;1-36(2,3)37-24-14-5-6-15-25-38(4,34-23-22-29-18-10-12-20-32(29)34)35-31(26-28-16-8-7-9-17-28)27-30-19-11-13-21-33(30)35;1-31(2,3)22-14-8-6-7-9-15-24-20-21-25(23-24)32(4,5)30-28-18-12-10-16-26(28)27-17-11-13-19-29(27)30;1-29(2,3)30-21-11-5-6-12-22-31(4,27-19-17-23-13-7-9-15-25(23)27)28-20-18-24-14-8-10-16-26(24)28;;;;;;;;;;;;;;;;;;;;/h7-14,17-24,27-36H,5-6,15-16,25-26H2,1-4H3;7-13,16-21,29-35H,5-6,14-15,22-27H2,1-4H3;10-13,16-19,24-30H,6-9,14-15,20-23H2,1-5H3;7-10,13-16,23-28H,5-6,11-12,17-22H2,1-4H3;8*1H3;8*1H;;;;/q;;;;8*-1;;;;;;;;;4*+4/p-8
InChIKeyRZIGUAGCGMJEHY-UHFFFAOYSA-F
XLogP46.93
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds38
Heavy Atoms160
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002726.19
LogP ≤ 546.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,3,3a,7a-tetrahydro-1H-inden-1-yl-(2-benzyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-[3-(8,8-dimethylnonyl)cyclopentyl]-dimethylsilane;bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;carbanide;tetrakis(dichlorozirconium(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,7a-tetrahydro-1H-inden-1-yl-(2-benzyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-[3-(8,8-dimethylnonyl)cyclopentyl]-dimethylsilane;bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;carbanide;tetrakis(dichlorozirconium(2+))?
The IUPAC name of 2,3,3a,7a-tetrahydro-1H-inden-1-yl-(2-benzyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-[3-(8,8-dimethylnonyl)cyclopentyl]-dimethylsilane;bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;carbanide;tetrakis(dichlorozirconium(2+)) (CID 162279418) is 2,3,3a,7a-tetrahydro-1H-inden-1-yl-(2-benzyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-[3-(8,8-dimethylnonyl)cyclopentyl]-dimethylsilane;bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;carbanide;tetrakis(dichlorozirconium(2+)).
What is the SMILES notation for 2,3,3a,7a-tetrahydro-1H-inden-1-yl-(2-benzyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-[3-(8,8-dimethylnonyl)cyclopentyl]-dimethylsilane;bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;carbanide;tetrakis(dichlorozirconium(2+))?
The canonical SMILES for 2,3,3a,7a-tetrahydro-1H-inden-1-yl-(2-benzyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-[3-(8,8-dimethylnonyl)cyclopentyl]-dimethylsilane;bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;carbanide;tetrakis(dichlorozirconium(2+)) is CC(C)(C)CCCCCCCC1CCC([Si](C)(C)C2C3C=CC=CC3C3C=CC=CC32)C1.CC(C)(C)OCCCCCC[Si](C)(C1C2C=CC=CC2C2C=CC=CC21)C1C2C=CC=CC2C2C=CC=CC21.CC(C)(C)OCCCCCC[Si](C)(C1CCC2C=CC=CC21)C1C(Cc2ccccc2)CC2C=CC=CC21.CC(C)(C)OCCCCCC[Si](C)(C1CCC2C=CC=CC21)C1CCC2C=CC=CC21.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].
What is the InChIKey of 2,3,3a,7a-tetrahydro-1H-inden-1-yl-(2-benzyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-[3-(8,8-dimethylnonyl)cyclopentyl]-dimethylsilane;bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;carbanide;tetrakis(dichlorozirconium(2+))?
The InChIKey is RZIGUAGCGMJEHY-UHFFFAOYSA-F. The full InChI is InChI=1S/C37H50OSi.C36H52OSi.C31H50Si.C29H46OSi.8CH3.8ClH.4Zr/c1-37(2,3)38-25-15-5-6-16-26-39(4,35-31-21-11-7-17-27(31)28-18-8-12-22-32(28)35)36-33-23-13-9-19-29(33)30-20-10-14-24-34(30)36;1-36(2,3)37-24-14-5-6-15-25-38(4,34-23-22-29-18-10-12-20-32(29)34)35-31(26-28-16-8-7-9-17-28)27-30-19-11-13-21-33(30)35;1-31(2,3)22-14-8-6-7-9-15-24-20-21-25(23-24)32(4,5)30-28-18-12-10-16-26(28)27-17-11-13-19-29(27)30;1-29(2,3)30-21-11-5-6-12-22-31(4,27-19-17-23-13-7-9-15-25(23)27)28-20-18-24-14-8-10-16-26(24)28;;;;;;;;;;;;;;;;;;;;/h7-14,17-24,27-36H,5-6,15-16,25-26H2,1-4H3;7-13,16-21,29-35H,5-6,14-15,22-27H2,1-4H3;10-13,16-19,24-30H,6-9,14-15,20-23H2,1-5H3;7-10,13-16,23-28H,5-6,11-12,17-22H2,1-4H3;8*1H3;8*1H;;;;/q;;;;8*-1;;;;;;;;;4*+4/p-8.
What are the key properties of 2,3,3a,7a-tetrahydro-1H-inden-1-yl-(2-benzyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-[3-(8,8-dimethylnonyl)cyclopentyl]-dimethylsilane;bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;carbanide;tetrakis(dichlorozirconium(2+))?
2,3,3a,7a-tetrahydro-1H-inden-1-yl-(2-benzyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-[3-(8,8-dimethylnonyl)cyclopentyl]-dimethylsilane;bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;carbanide;tetrakis(dichlorozirconium(2+)) has a molecular weight of 2726.19 g/mol, XLogP of 46.93, 38 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,7a-tetrahydro-1H-inden-1-yl-(2-benzyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-[3-(8,8-dimethylnonyl)cyclopentyl]-dimethylsilane;bis(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;carbanide;tetrakis(dichlorozirconium(2+)) is sourced from PubChem (CID 162279418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).