9-[1-(3-but-3-enylcyclopentyl)cyclohexyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;1-but-3-enyl-3-(5-cyclopentylnonan-5-yl)-2,3,3a,7a-tetrahydro-1H-indene;carbanide;N-[cyclopentyl-(3-pent-4-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine;2,7-ditert-butyl-9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene;tetrakis(dichlorozirconium(2+))

C128H212BCl8NZr4 — CID 162276874

About 9-[1-(3-but-3-enylcyclopentyl)cyclohexyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;1-but-3-enyl-3-(5-cyclopentylnonan-5-yl)-2,3,3a,7a-tetrahydro-1H-indene;carbanide;N-[cyclopentyl-(3-pent-4-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine;2,7-ditert-butyl-9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene;tetrakis(dichlorozirconium(2+))

9-[1-(3-but-3-enylcyclopentyl)cyclohexyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;1-but-3-enyl-3-(5-cyclopentylnonan-5-yl)-2,3,3a,7a-tetrahydro-1H-indene;carbanide;N-[cyclopentyl-(3-pent-4-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine;2,7-ditert-butyl-9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene;tetrakis(dichlorozirconium(2+)) (PubChem CID 162276874) has the molecular formula C128H212BCl8NZr4 and a molecular weight of 2424.44 g/mol. Its IUPAC name is 9-[1-(3-but-3-enylcyclopentyl)cyclohexyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;1-but-3-enyl-3-(5-cyclopentylnonan-5-yl)-2,3,3a,7a-tetrahydro-1H-indene;carbanide;N-[cyclopentyl-(3-pent-4-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine;2,7-ditert-butyl-9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene;tetrakis(dichlorozirconium(2+)).

Molecular Properties

• Compound Name: 9-[1-(3-but-3-enylcyclopentyl)cyclohexyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;1-but-3-enyl-3-(5-cyclopentylnonan-5-yl)-2,3,3a,7a-tetrahydro-1H-indene;carbanide;N-[cyclopentyl-(3-pent-4-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine;2,7-ditert-butyl-9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene;tetrakis(dichlorozirconium(2+))
• PubChem CID: 162276874
• Molecular Formula: C128H212BCl8NZr4
• Molecular Weight: 2424.44 g/mol
• Exact Mass: 2414.04
• IUPAC Name: 9-[1-(3-but-3-enylcyclopentyl)cyclohexyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;1-but-3-enyl-3-(5-cyclopentylnonan-5-yl)-2,3,3a,7a-tetrahydro-1H-indene;carbanide;N-[cyclopentyl-(3-pent-4-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine;2,7-ditert-butyl-9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene;tetrakis(dichlorozirconium(2+))
• SMILES: C=CCCC(C)(C1CCCC1)C1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21.C=CCCC1CC(C(CCCC)(CCCC)C2CCCC2)C2C=CC=CC12.C=CCCC1CCC(C2(C3C4C=C(C(C)(C)C)C=CC4C4C=CC(C(C)(C)C)=CC43)CCCCC2)C1.C=CCCCC1CC(B(C2CCCC2)N(C(C)C)C(C)C)C2C=CC=CC12.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
• InChI: InChI=1S/C36H54.C32H48.C27H44.C25H42BN.8CH3.8ClH.4Zr/c1-8-9-13-25-14-15-28(22-25)36(20-11-10-12-21-36)33-31-23-26(34(2,3)4)16-18-29(31)30-19-17-27(24-32(30)33)35(5,6)7;1-9-10-19-32(8,22-13-11-12-14-22)29-27-20-23(30(2,3)4)15-17-25(27)26-18-16-24(21-28(26)29)31(5,6)7;1-4-7-14-22-21-26(25-18-13-12-17-24(22)25)27(19-8-5-2,20-9-6-3)23-15-10-11-16-23;1-6-7-8-13-21-18-25(24-17-12-11-16-23(21)24)26(22-14-9-10-15-22)27(19(2)3)20(4)5;;;;;;;;;;;;;;;;;;;;/h8,16-19,23-25,28-33H,1,9-15,20-22H2,2-7H3;9,15-18,20-22,25-29H,1,10-14,19H2,2-8H3;4,12-13,17-18,22-26H,1,5-11,14-16,19-21H2,2-3H3;6,11-12,16-17,19-25H,1,7-10,13-15,18H2,2-5H3;8*1H3;8*1H;;;;/q;;;;8*-1;;;;;;;;;4*+4/p-8
• InChIKey: PSAVZZFPURMISG-UHFFFAOYSA-F
• XLogP: 44.59
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 30
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2424.44
LogP ≤ 5	44.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[1-(3-but-3-enylcyclopentyl)cyclohexyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;1-but-3-enyl-3-(5-cyclopentylnonan-5-yl)-2,3,3a,7a-tetrahydro-1H-indene;carbanide;N-[cyclopentyl-(3-pent-4-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine;2,7-ditert-butyl-9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene;tetrakis(dichlorozirconium(2+))?

The IUPAC name of 9-[1-(3-but-3-enylcyclopentyl)cyclohexyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;1-but-3-enyl-3-(5-cyclopentylnonan-5-yl)-2,3,3a,7a-tetrahydro-1H-indene;carbanide;N-[cyclopentyl-(3-pent-4-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine;2,7-ditert-butyl-9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene;tetrakis(dichlorozirconium(2+)) (CID 162276874) is 9-[1-(3-but-3-enylcyclopentyl)cyclohexyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;1-but-3-enyl-3-(5-cyclopentylnonan-5-yl)-2,3,3a,7a-tetrahydro-1H-indene;carbanide;N-[cyclopentyl-(3-pent-4-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine;2,7-ditert-butyl-9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene;tetrakis(dichlorozirconium(2+)).

What is the SMILES notation for 9-[1-(3-but-3-enylcyclopentyl)cyclohexyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;1-but-3-enyl-3-(5-cyclopentylnonan-5-yl)-2,3,3a,7a-tetrahydro-1H-indene;carbanide;N-[cyclopentyl-(3-pent-4-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine;2,7-ditert-butyl-9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene;tetrakis(dichlorozirconium(2+))?

The canonical SMILES for 9-[1-(3-but-3-enylcyclopentyl)cyclohexyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;1-but-3-enyl-3-(5-cyclopentylnonan-5-yl)-2,3,3a,7a-tetrahydro-1H-indene;carbanide;N-[cyclopentyl-(3-pent-4-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine;2,7-ditert-butyl-9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene;tetrakis(dichlorozirconium(2+)) is C=CCCC(C)(C1CCCC1)C1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21.C=CCCC1CC(C(CCCC)(CCCC)C2CCCC2)C2C=CC=CC12.C=CCCC1CCC(C2(C3C4C=C(C(C)(C)C)C=CC4C4C=CC(C(C)(C)C)=CC43)CCCCC2)C1.C=CCCCC1CC(B(C2CCCC2)N(C(C)C)C(C)C)C2C=CC=CC12.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 9-[1-(3-but-3-enylcyclopentyl)cyclohexyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;1-but-3-enyl-3-(5-cyclopentylnonan-5-yl)-2,3,3a,7a-tetrahydro-1H-indene;carbanide;N-[cyclopentyl-(3-pent-4-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine;2,7-ditert-butyl-9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene;tetrakis(dichlorozirconium(2+))?

The InChIKey is PSAVZZFPURMISG-UHFFFAOYSA-F. The full InChI is InChI=1S/C36H54.C32H48.C27H44.C25H42BN.8CH3.8ClH.4Zr/c1-8-9-13-25-14-15-28(22-25)36(20-11-10-12-21-36)33-31-23-26(34(2,3)4)16-18-29(31)30-19-17-27(24-32(30)33)35(5,6)7;1-9-10-19-32(8,22-13-11-12-14-22)29-27-20-23(30(2,3)4)15-17-25(27)26-18-16-24(21-28(26)29)31(5,6)7;1-4-7-14-22-21-26(25-18-13-12-17-24(22)25)27(19-8-5-2,20-9-6-3)23-15-10-11-16-23;1-6-7-8-13-21-18-25(24-17-12-11-16-23(21)24)26(22-14-9-10-15-22)27(19(2)3)20(4)5;;;;;;;;;;;;;;;;;;;;/h8,16-19,23-25,28-33H,1,9-15,20-22H2,2-7H3;9,15-18,20-22,25-29H,1,10-14,19H2,2-8H3;4,12-13,17-18,22-26H,1,5-11,14-16,19-21H2,2-3H3;6,11-12,16-17,19-25H,1,7-10,13-15,18H2,2-5H3;8*1H3;8*1H;;;;/q;;;;8*-1;;;;;;;;;4*+4/p-8.

What are the key properties of 9-[1-(3-but-3-enylcyclopentyl)cyclohexyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;1-but-3-enyl-3-(5-cyclopentylnonan-5-yl)-2,3,3a,7a-tetrahydro-1H-indene;carbanide;N-[cyclopentyl-(3-pent-4-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine;2,7-ditert-butyl-9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene;tetrakis(dichlorozirconium(2+))?

9-[1-(3-but-3-enylcyclopentyl)cyclohexyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;1-but-3-enyl-3-(5-cyclopentylnonan-5-yl)-2,3,3a,7a-tetrahydro-1H-indene;carbanide;N-[cyclopentyl-(3-pent-4-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine;2,7-ditert-butyl-9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene;tetrakis(dichlorozirconium(2+)) has a molecular weight of 2424.44 g/mol, XLogP of 44.59, 30 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[1-(3-but-3-enylcyclopentyl)cyclohexyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;1-but-3-enyl-3-(5-cyclopentylnonan-5-yl)-2,3,3a,7a-tetrahydro-1H-indene;carbanide;N-[cyclopentyl-(3-pent-4-enyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)boranyl]-N-propan-2-ylpropan-2-amine;2,7-ditert-butyl-9-(2-cyclopentylhex-5-en-2-yl)-4b,8a,9,9a-tetrahydro-4aH-fluorene;tetrakis(dichlorozirconium(2+)) is sourced from PubChem (CID 162276874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).