1-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)hex-5-en-2-yl]-2,3,3a,7a-tetrahydro-1H-indene;9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;bis(2,7-ditert-butyl-9-[1-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);tris(dichlorozirconium(2+));bis(methanidyl(trimethyl)silane);zirconium(4+)

C170H254Cl6Si2Zr4 — CID 162276953

IUPAC1-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)hex-5-en-2-yl]-2,3,3a,7a-tetrahydro-1H-indene;9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;bis(2,7-ditert-butyl-9-[1-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);tris(dichlorozirconium(2+));bis(methanidyl(trimethyl)silane);zirconium(4+)
SMILESC=CCCC(CC1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21)C1C2C=CC=CC2C2C=CC=CC21.C=CCCC(CC1C2C=C(C)C=CC2C2C=CC(C(C)(C)C)=CC21)C1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21.C=CCCC(CC1C2C=C(C)C=CC2C2C=CC(C(C)(C)C)=CC21)C1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21.C=CCCC(CC1CCC2C=CC=CC21)C1CCC2C=CC=CC21.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Zr+4]
InChIInChI=1S/2C45H62.C40H52.C24H32.2C4H11Si.8CH3.6ClH.4Zr/c2*1-12-13-14-29(24-38-37-23-28(2)15-19-33(37)34-20-16-30(25-39(34)38)43(3,4)5)42-40-26-31(44(6,7)8)17-21-35(40)36-22-18-32(27-41(36)42)45(9,10)11;1-8-9-14-26(38-33-17-12-10-15-29(33)30-16-11-13-18-34(30)38)23-35-36-24-27(39(2,3)4)19-21-31(36)32-22-20-28(25-37(32)35)40(5,6)7;1-2-3-8-20(24-16-15-19-10-5-7-12-23(19)24)17-21-14-13-18-9-4-6-11-22(18)21;2*1-5(2,3)4;;;;;;;;;;;;;;;;;;/h2*12,15-23,25-27,29,33-42H,1,13-14,24H2,2-11H3;8,10-13,15-22,24-26,29-38H,1,9,14,23H2,2-7H3;2,4-7,9-12,18-24H,1,3,8,13-17H2;2*1H2,2-4H3;8*1H3;6*1H;;;;/q;;;;10*-1;;;;;;;4*+4/p-6
InChIKeyCPQDZHGEOAHDAH-UHFFFAOYSA-H
MW2931.69 g/mol
LogP52.69
Rot. Bonds24

About 1-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)hex-5-en-2-yl]-2,3,3a,7a-tetrahydro-1H-indene;9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;bis(2,7-ditert-butyl-9-[1-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);tris(dichlorozirconium(2+));bis(methanidyl(trimethyl)silane);zirconium(4+)

1-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)hex-5-en-2-yl]-2,3,3a,7a-tetrahydro-1H-indene;9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;bis(2,7-ditert-butyl-9-[1-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);tris(dichlorozirconium(2+));bis(methanidyl(trimethyl)silane);zirconium(4+) (PubChem CID 162276953) has the molecular formula C170H254Cl6Si2Zr4 and a molecular weight of 2931.69 g/mol. Its IUPAC name is 1-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)hex-5-en-2-yl]-2,3,3a,7a-tetrahydro-1H-indene;9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;bis(2,7-ditert-butyl-9-[1-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);tris(dichlorozirconium(2+));bis(methanidyl(trimethyl)silane);zirconium(4+).

Molecular Properties

Compound Name1-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)hex-5-en-2-yl]-2,3,3a,7a-tetrahydro-1H-indene;9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;bis(2,7-ditert-butyl-9-[1-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);tris(dichlorozirconium(2+));bis(methanidyl(trimethyl)silane);zirconium(4+)
PubChem CID162276953
Molecular FormulaC170H254Cl6Si2Zr4
Molecular Weight2931.69 g/mol
Exact Mass2921.37
IUPAC Name1-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)hex-5-en-2-yl]-2,3,3a,7a-tetrahydro-1H-indene;9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;bis(2,7-ditert-butyl-9-[1-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);tris(dichlorozirconium(2+));bis(methanidyl(trimethyl)silane);zirconium(4+)
SMILESC=CCCC(CC1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21)C1C2C=CC=CC2C2C=CC=CC21.C=CCCC(CC1C2C=C(C)C=CC2C2C=CC(C(C)(C)C)=CC21)C1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21.C=CCCC(CC1C2C=C(C)C=CC2C2C=CC(C(C)(C)C)=CC21)C1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21.C=CCCC(CC1CCC2C=CC=CC21)C1CCC2C=CC=CC21.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Zr+4]
InChIInChI=1S/2C45H62.C40H52.C24H32.2C4H11Si.8CH3.6ClH.4Zr/c2*1-12-13-14-29(24-38-37-23-28(2)15-19-33(37)34-20-16-30(25-39(34)38)43(3,4)5)42-40-26-31(44(6,7)8)17-21-35(40)36-22-18-32(27-41(36)42)45(9,10)11;1-8-9-14-26(38-33-17-12-10-15-29(33)30-16-11-13-18-34(30)38)23-35-36-24-27(39(2,3)4)19-21-31(36)32-22-20-28(25-37(32)35)40(5,6)7;1-2-3-8-20(24-16-15-19-10-5-7-12-23(19)24)17-21-14-13-18-9-4-6-11-22(18)21;2*1-5(2,3)4;;;;;;;;;;;;;;;;;;/h2*12,15-23,25-27,29,33-42H,1,13-14,24H2,2-11H3;8,10-13,15-22,24-26,29-38H,1,9,14,23H2,2-7H3;2,4-7,9-12,18-24H,1,3,8,13-17H2;2*1H2,2-4H3;8*1H3;6*1H;;;;/q;;;;10*-1;;;;;;;4*+4/p-6
InChIKeyCPQDZHGEOAHDAH-UHFFFAOYSA-H
XLogP52.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms182
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002931.69
LogP ≤ 552.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}

Analyze 1-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)hex-5-en-2-yl]-2,3,3a,7a-tetrahydro-1H-indene;9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;bis(2,7-ditert-butyl-9-[1-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);tris(dichlorozirconium(2+));bis(methanidyl(trimethyl)silane);zirconium(4+) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)hex-5-en-2-yl]-2,3,3a,7a-tetrahydro-1H-indene;9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;bis(2,7-ditert-butyl-9-[1-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);tris(dichlorozirconium(2+));bis(methanidyl(trimethyl)silane);zirconium(4+)?
The IUPAC name of 1-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)hex-5-en-2-yl]-2,3,3a,7a-tetrahydro-1H-indene;9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;bis(2,7-ditert-butyl-9-[1-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);tris(dichlorozirconium(2+));bis(methanidyl(trimethyl)silane);zirconium(4+) (CID 162276953) is 1-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)hex-5-en-2-yl]-2,3,3a,7a-tetrahydro-1H-indene;9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;bis(2,7-ditert-butyl-9-[1-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);tris(dichlorozirconium(2+));bis(methanidyl(trimethyl)silane);zirconium(4+).
What is the SMILES notation for 1-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)hex-5-en-2-yl]-2,3,3a,7a-tetrahydro-1H-indene;9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;bis(2,7-ditert-butyl-9-[1-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);tris(dichlorozirconium(2+));bis(methanidyl(trimethyl)silane);zirconium(4+)?
The canonical SMILES for 1-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)hex-5-en-2-yl]-2,3,3a,7a-tetrahydro-1H-indene;9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;bis(2,7-ditert-butyl-9-[1-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);tris(dichlorozirconium(2+));bis(methanidyl(trimethyl)silane);zirconium(4+) is C=CCCC(CC1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21)C1C2C=CC=CC2C2C=CC=CC21.C=CCCC(CC1C2C=C(C)C=CC2C2C=CC(C(C)(C)C)=CC21)C1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21.C=CCCC(CC1C2C=C(C)C=CC2C2C=CC(C(C)(C)C)=CC21)C1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21.C=CCCC(CC1CCC2C=CC=CC21)C1CCC2C=CC=CC21.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Zr+4].
What is the InChIKey of 1-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)hex-5-en-2-yl]-2,3,3a,7a-tetrahydro-1H-indene;9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;bis(2,7-ditert-butyl-9-[1-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);tris(dichlorozirconium(2+));bis(methanidyl(trimethyl)silane);zirconium(4+)?
The InChIKey is CPQDZHGEOAHDAH-UHFFFAOYSA-H. The full InChI is InChI=1S/2C45H62.C40H52.C24H32.2C4H11Si.8CH3.6ClH.4Zr/c2*1-12-13-14-29(24-38-37-23-28(2)15-19-33(37)34-20-16-30(25-39(34)38)43(3,4)5)42-40-26-31(44(6,7)8)17-21-35(40)36-22-18-32(27-41(36)42)45(9,10)11;1-8-9-14-26(38-33-17-12-10-15-29(33)30-16-11-13-18-34(30)38)23-35-36-24-27(39(2,3)4)19-21-31(36)32-22-20-28(25-37(32)35)40(5,6)7;1-2-3-8-20(24-16-15-19-10-5-7-12-23(19)24)17-21-14-13-18-9-4-6-11-22(18)21;2*1-5(2,3)4;;;;;;;;;;;;;;;;;;/h2*12,15-23,25-27,29,33-42H,1,13-14,24H2,2-11H3;8,10-13,15-22,24-26,29-38H,1,9,14,23H2,2-7H3;2,4-7,9-12,18-24H,1,3,8,13-17H2;2*1H2,2-4H3;8*1H3;6*1H;;;;/q;;;;10*-1;;;;;;;4*+4/p-6.
What are the key properties of 1-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)hex-5-en-2-yl]-2,3,3a,7a-tetrahydro-1H-indene;9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;bis(2,7-ditert-butyl-9-[1-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);tris(dichlorozirconium(2+));bis(methanidyl(trimethyl)silane);zirconium(4+)?
1-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)hex-5-en-2-yl]-2,3,3a,7a-tetrahydro-1H-indene;9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;bis(2,7-ditert-butyl-9-[1-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);tris(dichlorozirconium(2+));bis(methanidyl(trimethyl)silane);zirconium(4+) has a molecular weight of 2931.69 g/mol, XLogP of 52.69, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)hex-5-en-2-yl]-2,3,3a,7a-tetrahydro-1H-indene;9-[2-(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-enyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;carbanide;bis(2,7-ditert-butyl-9-[1-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)hex-5-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene);tris(dichlorozirconium(2+));bis(methanidyl(trimethyl)silane);zirconium(4+) is sourced from PubChem (CID 162276953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).