1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-(3-methylbut-3-enyl)-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;[3-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-prop-2-enylsilane;carbanide;tris(dichlorozirconium(2+))

C89H136Cl6SiZr3 — CID 162275989

About 1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-(3-methylbut-3-enyl)-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;[3-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-prop-2-enylsilane;carbanide;tris(dichlorozirconium(2+))

1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-(3-methylbut-3-enyl)-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;[3-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-prop-2-enylsilane;carbanide;tris(dichlorozirconium(2+)) (PubChem CID 162275989) has the molecular formula C89H136Cl6SiZr3 and a molecular weight of 1720.54 g/mol. Its IUPAC name is 1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-(3-methylbut-3-enyl)-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;[3-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-prop-2-enylsilane;carbanide;tris(dichlorozirconium(2+)).

Molecular Properties

• Compound Name: 1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-(3-methylbut-3-enyl)-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;[3-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-prop-2-enylsilane;carbanide;tris(dichlorozirconium(2+))
• PubChem CID: 162275989
• Molecular Formula: C89H136Cl6SiZr3
• Molecular Weight: 1720.54 g/mol
• Exact Mass: 1712.57
• IUPAC Name: 1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-(3-methylbut-3-enyl)-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;[3-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-prop-2-enylsilane;carbanide;tris(dichlorozirconium(2+))
• SMILES: C=C(C)CCC1CC(CCC2CCC3C=CC=CC32)C2C=CC=CC12.C=CCC1CC(CCC2CCC3C=CC=CC32)C2C=CC=CC12.C=CC[Si](C)(C)C1CC(C(C)(c2ccccc2)C2C3CCCCC3C3CCCCC32)C2CCCCC21.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
• InChI: InChI=1S/C35H54Si.C25H34.C23H30.6CH3.6ClH.3Zr/c1-5-23-36(3,4)33-24-32(28-19-11-12-20-29(28)33)35(2,25-15-7-6-8-16-25)34-30-21-13-9-17-26(30)27-18-10-14-22-31(27)34;1-18(2)11-12-21-17-22(25-10-6-5-9-24(21)25)16-15-20-14-13-19-7-3-4-8-23(19)20;1-2-7-19-16-20(23-11-6-5-10-22(19)23)15-14-18-13-12-17-8-3-4-9-21(17)18;;;;;;;;;;;;;;;/h5-8,15-16,26-34H,1,9-14,17-24H2,2-4H3;3-10,19-25H,1,11-17H2,2H3;2-6,8-11,17-23H,1,7,12-16H2;6*1H3;6*1H;;;/q;;;6*-1;;;;;;;3*+4/p-6
• InChIKey: JHBLBPGBEJTJNN-UHFFFAOYSA-H
• XLogP: 30.10
• TPSA: 0.00 Ų
• Rotatable Bonds: 17
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1720.54
LogP ≤ 5	30.10
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-(3-methylbut-3-enyl)-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;[3-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-prop-2-enylsilane;carbanide;tris(dichlorozirconium(2+))?

The IUPAC name of 1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-(3-methylbut-3-enyl)-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;[3-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-prop-2-enylsilane;carbanide;tris(dichlorozirconium(2+)) (CID 162275989) is 1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-(3-methylbut-3-enyl)-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;[3-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-prop-2-enylsilane;carbanide;tris(dichlorozirconium(2+)).

What is the SMILES notation for 1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-(3-methylbut-3-enyl)-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;[3-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-prop-2-enylsilane;carbanide;tris(dichlorozirconium(2+))?

The canonical SMILES for 1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-(3-methylbut-3-enyl)-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;[3-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-prop-2-enylsilane;carbanide;tris(dichlorozirconium(2+)) is C=C(C)CCC1CC(CCC2CCC3C=CC=CC32)C2C=CC=CC12.C=CCC1CC(CCC2CCC3C=CC=CC32)C2C=CC=CC12.C=CC[Si](C)(C)C1CC(C(C)(c2ccccc2)C2C3CCCCC3C3CCCCC32)C2CCCCC21.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].

What is the InChIKey of 1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-(3-methylbut-3-enyl)-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;[3-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-prop-2-enylsilane;carbanide;tris(dichlorozirconium(2+))?

The InChIKey is JHBLBPGBEJTJNN-UHFFFAOYSA-H. The full InChI is InChI=1S/C35H54Si.C25H34.C23H30.6CH3.6ClH.3Zr/c1-5-23-36(3,4)33-24-32(28-19-11-12-20-29(28)33)35(2,25-15-7-6-8-16-25)34-30-21-13-9-17-26(30)27-18-10-14-22-31(27)34;1-18(2)11-12-21-17-22(25-10-6-5-9-24(21)25)16-15-20-14-13-19-7-3-4-8-23(19)20;1-2-7-19-16-20(23-11-6-5-10-22(19)23)15-14-18-13-12-17-8-3-4-9-21(17)18;;;;;;;;;;;;;;;/h5-8,15-16,26-34H,1,9-14,17-24H2,2-4H3;3-10,19-25H,1,11-17H2,2H3;2-6,8-11,17-23H,1,7,12-16H2;6*1H3;6*1H;;;/q;;;6*-1;;;;;;;3*+4/p-6.

What are the key properties of 1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-(3-methylbut-3-enyl)-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;[3-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-prop-2-enylsilane;carbanide;tris(dichlorozirconium(2+))?

1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-(3-methylbut-3-enyl)-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;[3-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-prop-2-enylsilane;carbanide;tris(dichlorozirconium(2+)) has a molecular weight of 1720.54 g/mol, XLogP of 30.10, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-(3-methylbut-3-enyl)-2,3,3a,7a-tetrahydro-1H-indene;1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-indene;[3-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-dimethyl-prop-2-enylsilane;carbanide;tris(dichlorozirconium(2+)) is sourced from PubChem (CID 162275989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).