(4-bromo-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-[(3-butylcyclopentyl)-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[[4-(9H-fluoren-9-yl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[[4-(1H-inden-1-yl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[(4-iodo-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-methylsilyl]-methylsilane;carbanide;tetrakis(zirconium(4+))

C134H244BrISi8Zr4 — CID 162298047

About (4-bromo-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-[(3-butylcyclopentyl)-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[[4-(9H-fluoren-9-yl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[[4-(1H-inden-1-yl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[(4-iodo-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-methylsilyl]-methylsilane;carbanide;tetrakis(zirconium(4+))

(4-bromo-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-[(3-butylcyclopentyl)-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[[4-(9H-fluoren-9-yl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[[4-(1H-inden-1-yl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[(4-iodo-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-methylsilyl]-methylsilane;carbanide;tetrakis(zirconium(4+)) (PubChem CID 162298047) has the molecular formula C134H244BrISi8Zr4 and a molecular weight of 2651.82 g/mol. Its IUPAC name is (4-bromo-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-[(3-butylcyclopentyl)-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[[4-(9H-fluoren-9-yl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[[4-(1H-inden-1-yl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[(4-iodo-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-methylsilyl]-methylsilane;carbanide;tetrakis(zirconium(4+)).

Molecular Properties

• Compound Name: (4-bromo-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-[(3-butylcyclopentyl)-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[[4-(9H-fluoren-9-yl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[[4-(1H-inden-1-yl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[(4-iodo-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-methylsilyl]-methylsilane;carbanide;tetrakis(zirconium(4+))
• PubChem CID: 162298047
• Molecular Formula: C134H244BrISi8Zr4
• Molecular Weight: 2651.82 g/mol
• Exact Mass: 2643.17
• IUPAC Name: (4-bromo-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-[(3-butylcyclopentyl)-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[[4-(9H-fluoren-9-yl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[[4-(1H-inden-1-yl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[(4-iodo-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-methylsilyl]-methylsilane;carbanide;tetrakis(zirconium(4+))
• SMILES: CCCCC1CCC([SiH](C)[SiH](C)C2C(C)CC3C(Br)C4CCCC4CC32)C1.CCCCC1CCC([SiH](C)[SiH](C)C2C(C)CC3C(I)C4CCCC4CC32)C1.CCCCC1CCC([SiH](C)[SiH](C)C2C(C)CC3C2CC2CCCC2C3C2C=Cc3ccccc32)C1.CCCCC1CCC([SiH](C)[SiH](C)C2C(C)CC3C2CC2CCCC2C3C2c3ccccc3-c3ccccc32)C1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Zr+4].[Zr+4].[Zr+4].[Zr+4]
• InChI: InChI=1S/C37H54Si2.C33H52Si2.C24H45BrSi2.C24H45ISi2.16CH3.4Zr/c1-5-6-12-25-19-20-27(22-25)38(3)39(4)37-24(2)21-33-34(37)23-26-13-11-18-28(26)35(33)36-31-16-9-7-14-29(31)30-15-8-10-17-32(30)36;1-5-6-10-23-15-17-26(20-23)34(3)35(4)33-22(2)19-30-31(33)21-25-12-9-14-28(25)32(30)29-18-16-24-11-7-8-13-27(24)29;2*1-5-6-8-17-11-12-19(14-17)26(3)27(4)24-16(2)13-21-22(24)15-18-9-7-10-20(18)23(21)25;;;;;;;;;;;;;;;;;;;;/h7-10,14-17,24-28,33-39H,5-6,11-13,18-23H2,1-4H3;7-8,11,13,16,18,22-23,25-26,28-35H,5-6,9-10,12,14-15,17,19-21H2,1-4H3;2*16-24,26-27H,5-15H2,1-4H3;16*1H3;;;;/q;;;;16*-1;4*+4
• InChIKey: ALSWPSCZGLSULD-UHFFFAOYSA-N
• XLogP: 41.02
• TPSA: 0.00 Ų
• Rotatable Bonds: 26
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2651.82
LogP ≤ 5	41.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-[(3-butylcyclopentyl)-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[[4-(9H-fluoren-9-yl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[[4-(1H-inden-1-yl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[(4-iodo-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-methylsilyl]-methylsilane;carbanide;tetrakis(zirconium(4+))?

The IUPAC name of (4-bromo-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-[(3-butylcyclopentyl)-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[[4-(9H-fluoren-9-yl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[[4-(1H-inden-1-yl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[(4-iodo-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-methylsilyl]-methylsilane;carbanide;tetrakis(zirconium(4+)) (CID 162298047) is (4-bromo-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-[(3-butylcyclopentyl)-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[[4-(9H-fluoren-9-yl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[[4-(1H-inden-1-yl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[(4-iodo-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-methylsilyl]-methylsilane;carbanide;tetrakis(zirconium(4+)).

What is the SMILES notation for (4-bromo-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-[(3-butylcyclopentyl)-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[[4-(9H-fluoren-9-yl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[[4-(1H-inden-1-yl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[(4-iodo-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-methylsilyl]-methylsilane;carbanide;tetrakis(zirconium(4+))?

The canonical SMILES for (4-bromo-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-[(3-butylcyclopentyl)-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[[4-(9H-fluoren-9-yl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[[4-(1H-inden-1-yl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[(4-iodo-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-methylsilyl]-methylsilane;carbanide;tetrakis(zirconium(4+)) is CCCCC1CCC([SiH](C)[SiH](C)C2C(C)CC3C(Br)C4CCCC4CC32)C1.CCCCC1CCC([SiH](C)[SiH](C)C2C(C)CC3C(I)C4CCCC4CC32)C1.CCCCC1CCC([SiH](C)[SiH](C)C2C(C)CC3C2CC2CCCC2C3C2C=Cc3ccccc32)C1.CCCCC1CCC([SiH](C)[SiH](C)C2C(C)CC3C2CC2CCCC2C3C2c3ccccc3-c3ccccc32)C1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Zr+4].[Zr+4].[Zr+4].[Zr+4].

What is the InChIKey of (4-bromo-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-[(3-butylcyclopentyl)-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[[4-(9H-fluoren-9-yl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[[4-(1H-inden-1-yl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[(4-iodo-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-methylsilyl]-methylsilane;carbanide;tetrakis(zirconium(4+))?

The InChIKey is ALSWPSCZGLSULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H54Si2.C33H52Si2.C24H45BrSi2.C24H45ISi2.16CH3.4Zr/c1-5-6-12-25-19-20-27(22-25)38(3)39(4)37-24(2)21-33-34(37)23-26-13-11-18-28(26)35(33)36-31-16-9-7-14-29(31)30-15-8-10-17-32(30)36;1-5-6-10-23-15-17-26(20-23)34(3)35(4)33-22(2)19-30-31(33)21-25-12-9-14-28(25)32(30)29-18-16-24-11-7-8-13-27(24)29;2*1-5-6-8-17-11-12-19(14-17)26(3)27(4)24-16(2)13-21-22(24)15-18-9-7-10-20(18)23(21)25;;;;;;;;;;;;;;;;;;;;/h7-10,14-17,24-28,33-39H,5-6,11-13,18-23H2,1-4H3;7-8,11,13,16,18,22-23,25-26,28-35H,5-6,9-10,12,14-15,17,19-21H2,1-4H3;2*16-24,26-27H,5-15H2,1-4H3;16*1H3;;;;/q;;;;16*-1;4*+4.

What are the key properties of (4-bromo-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-[(3-butylcyclopentyl)-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[[4-(9H-fluoren-9-yl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[[4-(1H-inden-1-yl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[(4-iodo-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-methylsilyl]-methylsilane;carbanide;tetrakis(zirconium(4+))?

(4-bromo-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-[(3-butylcyclopentyl)-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[[4-(9H-fluoren-9-yl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[[4-(1H-inden-1-yl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[(4-iodo-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-methylsilyl]-methylsilane;carbanide;tetrakis(zirconium(4+)) has a molecular weight of 2651.82 g/mol, XLogP of 41.02, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (4-bromo-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-[(3-butylcyclopentyl)-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[[4-(9H-fluoren-9-yl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[[4-(1H-inden-1-yl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methylsilyl]-methylsilane;(3-butylcyclopentyl)-[(4-iodo-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-methylsilyl]-methylsilane;carbanide;tetrakis(zirconium(4+)) is sourced from PubChem (CID 162298047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).