9-[2-(3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-butyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;pentakis(dichlorozirconium(2+));methane;9-[2-(3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-propyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene

C157H226Cl10Zr5 — CID 162269319

About 9-[2-(3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-butyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;pentakis(dichlorozirconium(2+));methane;9-[2-(3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-propyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene

9-[2-(3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-butyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;pentakis(dichlorozirconium(2+));methane;9-[2-(3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-propyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene (PubChem CID 162269319) has the molecular formula C157H226Cl10Zr5 and a molecular weight of 2924.18 g/mol. Its IUPAC name is 9-[2-(3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-butyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;pentakis(dichlorozirconium(2+));methane;9-[2-(3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-propyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene.

Molecular Properties

• Compound Name: 9-[2-(3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-butyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;pentakis(dichlorozirconium(2+));methane;9-[2-(3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-propyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
• PubChem CID: 162269319
• Molecular Formula: C157H226Cl10Zr5
• Molecular Weight: 2924.18 g/mol
• Exact Mass: 2910.98
• IUPAC Name: 9-[2-(3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-butyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;pentakis(dichlorozirconium(2+));methane;9-[2-(3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-propyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene
• SMILES: C.C.C.C.C=CCC1CC(CCC2C3C=CC=CC3C3C=CC=CC32)C2C=CC=CC12.C=CCCC1CC(CCC2C3C=C(C)C=CC3C3C=CC(C(C)(C)C)=CC32)C2C=CC=CC12.C=CCCC1CC(CCC2C3C=CC=CC3C3C=CC=CC32)C2C=CC=CC12.CCCC1CC(CCC2C3C=CC=CC3C3C=CC=CC32)C2C=CC=CC12.CCCCC1CC(CCC2C3C=CC=CC3C3C=CC=CC32)C2C=CC=CC12.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
• InChI: InChI=1S/C33H44.C28H36.C28H34.C27H34.C27H32.4CH4.10CH3.10ClH.5Zr/c1-6-7-10-23-20-24(27-12-9-8-11-26(23)27)14-17-30-31-19-22(2)13-16-28(31)29-18-15-25(21-32(29)30)33(3,4)5;2*1-2-3-10-20-19-21(23-12-5-4-11-22(20)23)17-18-28-26-15-8-6-13-24(26)25-14-7-9-16-27(25)28;2*1-2-9-19-18-20(22-11-4-3-10-21(19)22)16-17-27-25-14-7-5-12-23(25)24-13-6-8-15-26(24)27;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h6,8-9,11-13,15-16,18-19,21,23-24,26-32H,1,7,10,14,17,20H2,2-5H3;4-9,11-16,20-28H,2-3,10,17-19H2,1H3;2,4-9,11-16,20-28H,1,3,10,17-19H2;3-8,10-15,19-27H,2,9,16-18H2,1H3;2-8,10-15,19-27H,1,9,16-18H2;4*1H4;10*1H3;10*1H;;;;;/q;;;;;;;;;10*-1;;;;;;;;;;;5*+4/p-10
• InChIKey: UXLFZSXACDYZCA-UHFFFAOYSA-D
• XLogP: 50.77
• TPSA: 0.00 Ų
• Rotatable Bonds: 28
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2924.18
LogP ≤ 5	50.77
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': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[2-(3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-butyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;pentakis(dichlorozirconium(2+));methane;9-[2-(3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-propyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?

The IUPAC name of 9-[2-(3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-butyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;pentakis(dichlorozirconium(2+));methane;9-[2-(3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-propyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene (CID 162269319) is 9-[2-(3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-butyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;pentakis(dichlorozirconium(2+));methane;9-[2-(3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-propyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene.

What is the SMILES notation for 9-[2-(3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-butyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;pentakis(dichlorozirconium(2+));methane;9-[2-(3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-propyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?

The canonical SMILES for 9-[2-(3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-butyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;pentakis(dichlorozirconium(2+));methane;9-[2-(3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-propyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene is C.C.C.C.C=CCC1CC(CCC2C3C=CC=CC3C3C=CC=CC32)C2C=CC=CC12.C=CCCC1CC(CCC2C3C=C(C)C=CC3C3C=CC(C(C)(C)C)=CC32)C2C=CC=CC12.C=CCCC1CC(CCC2C3C=CC=CC3C3C=CC=CC32)C2C=CC=CC12.CCCC1CC(CCC2C3C=CC=CC3C3C=CC=CC32)C2C=CC=CC12.CCCCC1CC(CCC2C3C=CC=CC3C3C=CC=CC32)C2C=CC=CC12.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].

What is the InChIKey of 9-[2-(3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-butyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;pentakis(dichlorozirconium(2+));methane;9-[2-(3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-propyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?

The InChIKey is UXLFZSXACDYZCA-UHFFFAOYSA-D. The full InChI is InChI=1S/C33H44.C28H36.C28H34.C27H34.C27H32.4CH4.10CH3.10ClH.5Zr/c1-6-7-10-23-20-24(27-12-9-8-11-26(23)27)14-17-30-31-19-22(2)13-16-28(31)29-18-15-25(21-32(29)30)33(3,4)5;2*1-2-3-10-20-19-21(23-12-5-4-11-22(20)23)17-18-28-26-15-8-6-13-24(26)25-14-7-9-16-27(25)28;2*1-2-9-19-18-20(22-11-4-3-10-21(19)22)16-17-27-25-14-7-5-12-23(25)24-13-6-8-15-26(24)27;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h6,8-9,11-13,15-16,18-19,21,23-24,26-32H,1,7,10,14,17,20H2,2-5H3;4-9,11-16,20-28H,2-3,10,17-19H2,1H3;2,4-9,11-16,20-28H,1,3,10,17-19H2;3-8,10-15,19-27H,2,9,16-18H2,1H3;2-8,10-15,19-27H,1,9,16-18H2;4*1H4;10*1H3;10*1H;;;;;/q;;;;;;;;;10*-1;;;;;;;;;;;5*+4/p-10.

What are the key properties of 9-[2-(3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-butyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;pentakis(dichlorozirconium(2+));methane;9-[2-(3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-propyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene?

9-[2-(3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-butyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;pentakis(dichlorozirconium(2+));methane;9-[2-(3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-propyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene has a molecular weight of 2924.18 g/mol, XLogP of 50.77, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-(3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-but-3-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-butyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;pentakis(dichlorozirconium(2+));methane;9-[2-(3-prop-2-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;9-[2-(3-propyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene is sourced from PubChem (CID 162269319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).