9-[1-(3-but-3-enylcyclopentyl)cyclohexyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;(3-but-3-enylcyclopentyl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;but-3-enyl-cyclopentyl-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methylsilane;carbanide;bis([3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]-dimethyl-prop-2-enylsilane);pentakis(dichlorozirconium(2+))

C197H298Cl10Si4Zr5 — CID 162277138

IUPAC9-[1-(3-but-3-enylcyclopentyl)cyclohexyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;(3-but-3-enylcyclopentyl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;but-3-enyl-cyclopentyl-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methylsilane;carbanide;bis([3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]-dimethyl-prop-2-enylsilane);pentakis(dichlorozirconium(2+))
SMILESC=CCCC1CCC(C2(C3C4C=C(C(C)(C)C)C=CC4C4C=CC(C(C)(C)C)=CC43)CCCCC2)C1.C=CCCC1CCC([Si](C)(C)C2C3C=C(C(C)(C)C)C=CC3C3C=CC(C(C)(C)C)=CC32)C1.C=CCC[Si](C)(C1CCCC1)C1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21.C=CC[Si](C)(C)C1CCC(C(c2ccccc2)(c2ccccc2)C2C3C=C(C(C)(C)C)C=CC3C3C=CC(C(C)(C)C)=CC32)C1.C=CC[Si](C)(C)C1CCC(C(c2ccccc2)(c2ccccc2)C2C3C=C(C(C)(C)C)C=CC3C3C=CC(C(C)(C)C)=CC32)C1.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-]
InChIInChI=1S/2C44H58Si.C36H54.C32H50Si.C31H48Si.10CH3.10ClH.5Zr/c2*1-10-27-45(8,9)36-24-21-35(28-36)44(31-17-13-11-14-18-31,32-19-15-12-16-20-32)41-39-29-33(42(2,3)4)22-25-37(39)38-26-23-34(30-40(38)41)43(5,6)7;1-8-9-13-25-14-15-28(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;1-10-11-12-22-13-16-25(19-22)33(8,9)30-28-20-23(31(2,3)4)14-17-26(28)27-18-15-24(21-29(27)30)32(5,6)7;1-9-10-19-32(8,24-13-11-12-14-24)29-27-20-22(30(2,3)4)15-17-25(27)26-18-16-23(21-28(26)29)31(5,6)7;;;;;;;;;;;;;;;;;;;;;;;;;/h2*10-20,22-23,25-26,29-30,35-41H,1,21,24,27-28H2,2-9H3;8,16-19,23-25,28-33H,1,9-15,20-22H2,2-7H3;10,14-15,17-18,20-22,25-30H,1,11-13,16,19H2,2-9H3;9,15-18,20-21,24-29H,1,10-14,19H2,2-8H3;10*1H3;10*1H;;;;;/q;;;;;10*-1;;;;;;;;;;;5*+4/p-10
InChIKeyGUUNTNYRHZLTNZ-UHFFFAOYSA-D
MW3589.54 g/mol
LogP65.60
Rot. Bonds29

About 9-[1-(3-but-3-enylcyclopentyl)cyclohexyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;(3-but-3-enylcyclopentyl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;but-3-enyl-cyclopentyl-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methylsilane;carbanide;bis([3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]-dimethyl-prop-2-enylsilane);pentakis(dichlorozirconium(2+))

9-[1-(3-but-3-enylcyclopentyl)cyclohexyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;(3-but-3-enylcyclopentyl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;but-3-enyl-cyclopentyl-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methylsilane;carbanide;bis([3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]-dimethyl-prop-2-enylsilane);pentakis(dichlorozirconium(2+)) (PubChem CID 162277138) has the molecular formula C197H298Cl10Si4Zr5 and a molecular weight of 3589.54 g/mol. Its IUPAC name is 9-[1-(3-but-3-enylcyclopentyl)cyclohexyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;(3-but-3-enylcyclopentyl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;but-3-enyl-cyclopentyl-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methylsilane;carbanide;bis([3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]-dimethyl-prop-2-enylsilane);pentakis(dichlorozirconium(2+)).

Molecular Properties

Compound Name9-[1-(3-but-3-enylcyclopentyl)cyclohexyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;(3-but-3-enylcyclopentyl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;but-3-enyl-cyclopentyl-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methylsilane;carbanide;bis([3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]-dimethyl-prop-2-enylsilane);pentakis(dichlorozirconium(2+))
PubChem CID162277138
Molecular FormulaC197H298Cl10Si4Zr5
Molecular Weight3589.54 g/mol
Exact Mass3575.45
IUPAC Name9-[1-(3-but-3-enylcyclopentyl)cyclohexyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;(3-but-3-enylcyclopentyl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;but-3-enyl-cyclopentyl-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methylsilane;carbanide;bis([3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]-dimethyl-prop-2-enylsilane);pentakis(dichlorozirconium(2+))
SMILESC=CCCC1CCC(C2(C3C4C=C(C(C)(C)C)C=CC4C4C=CC(C(C)(C)C)=CC43)CCCCC2)C1.C=CCCC1CCC([Si](C)(C)C2C3C=C(C(C)(C)C)C=CC3C3C=CC(C(C)(C)C)=CC32)C1.C=CCC[Si](C)(C1CCCC1)C1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21.C=CC[Si](C)(C)C1CCC(C(c2ccccc2)(c2ccccc2)C2C3C=C(C(C)(C)C)C=CC3C3C=CC(C(C)(C)C)=CC32)C1.C=CC[Si](C)(C)C1CCC(C(c2ccccc2)(c2ccccc2)C2C3C=C(C(C)(C)C)C=CC3C3C=CC(C(C)(C)C)=CC32)C1.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-]
InChIInChI=1S/2C44H58Si.C36H54.C32H50Si.C31H48Si.10CH3.10ClH.5Zr/c2*1-10-27-45(8,9)36-24-21-35(28-36)44(31-17-13-11-14-18-31,32-19-15-12-16-20-32)41-39-29-33(42(2,3)4)22-25-37(39)38-26-23-34(30-40(38)41)43(5,6)7;1-8-9-13-25-14-15-28(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;1-10-11-12-22-13-16-25(19-22)33(8,9)30-28-20-23(31(2,3)4)14-17-26(28)27-18-15-24(21-29(27)30)32(5,6)7;1-9-10-19-32(8,24-13-11-12-14-24)29-27-20-22(30(2,3)4)15-17-25(27)26-18-16-23(21-28(26)29)31(5,6)7;;;;;;;;;;;;;;;;;;;;;;;;;/h2*10-20,22-23,25-26,29-30,35-41H,1,21,24,27-28H2,2-9H3;8,16-19,23-25,28-33H,1,9-15,20-22H2,2-7H3;10,14-15,17-18,20-22,25-30H,1,11-13,16,19H2,2-9H3;9,15-18,20-21,24-29H,1,10-14,19H2,2-8H3;10*1H3;10*1H;;;;;/q;;;;;10*-1;;;;;;;;;;;5*+4/p-10
InChIKeyGUUNTNYRHZLTNZ-UHFFFAOYSA-D
XLogP65.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds29
Heavy Atoms216
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003589.54
LogP ≤ 565.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9-[1-(3-but-3-enylcyclopentyl)cyclohexyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;(3-but-3-enylcyclopentyl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;but-3-enyl-cyclopentyl-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methylsilane;carbanide;bis([3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]-dimethyl-prop-2-enylsilane);pentakis(dichlorozirconium(2+)) with MolForge

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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;(3-but-3-enylcyclopentyl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;but-3-enyl-cyclopentyl-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methylsilane;carbanide;bis([3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]-dimethyl-prop-2-enylsilane);pentakis(dichlorozirconium(2+))?
The IUPAC name of 9-[1-(3-but-3-enylcyclopentyl)cyclohexyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;(3-but-3-enylcyclopentyl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;but-3-enyl-cyclopentyl-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methylsilane;carbanide;bis([3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]-dimethyl-prop-2-enylsilane);pentakis(dichlorozirconium(2+)) (CID 162277138) is 9-[1-(3-but-3-enylcyclopentyl)cyclohexyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;(3-but-3-enylcyclopentyl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;but-3-enyl-cyclopentyl-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methylsilane;carbanide;bis([3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]-dimethyl-prop-2-enylsilane);pentakis(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;(3-but-3-enylcyclopentyl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;but-3-enyl-cyclopentyl-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methylsilane;carbanide;bis([3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]-dimethyl-prop-2-enylsilane);pentakis(dichlorozirconium(2+))?
The canonical SMILES for 9-[1-(3-but-3-enylcyclopentyl)cyclohexyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;(3-but-3-enylcyclopentyl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;but-3-enyl-cyclopentyl-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methylsilane;carbanide;bis([3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]-dimethyl-prop-2-enylsilane);pentakis(dichlorozirconium(2+)) is C=CCCC1CCC(C2(C3C4C=C(C(C)(C)C)C=CC4C4C=CC(C(C)(C)C)=CC43)CCCCC2)C1.C=CCCC1CCC([Si](C)(C)C2C3C=C(C(C)(C)C)C=CC3C3C=CC(C(C)(C)C)=CC32)C1.C=CCC[Si](C)(C1CCCC1)C1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21.C=CC[Si](C)(C)C1CCC(C(c2ccccc2)(c2ccccc2)C2C3C=C(C(C)(C)C)C=CC3C3C=CC(C(C)(C)C)=CC32)C1.C=CC[Si](C)(C)C1CCC(C(c2ccccc2)(c2ccccc2)C2C3C=C(C(C)(C)C)C=CC3C3C=CC(C(C)(C)C)=CC32)C1.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-[1-(3-but-3-enylcyclopentyl)cyclohexyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;(3-but-3-enylcyclopentyl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;but-3-enyl-cyclopentyl-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methylsilane;carbanide;bis([3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]-dimethyl-prop-2-enylsilane);pentakis(dichlorozirconium(2+))?
The InChIKey is GUUNTNYRHZLTNZ-UHFFFAOYSA-D. The full InChI is InChI=1S/2C44H58Si.C36H54.C32H50Si.C31H48Si.10CH3.10ClH.5Zr/c2*1-10-27-45(8,9)36-24-21-35(28-36)44(31-17-13-11-14-18-31,32-19-15-12-16-20-32)41-39-29-33(42(2,3)4)22-25-37(39)38-26-23-34(30-40(38)41)43(5,6)7;1-8-9-13-25-14-15-28(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;1-10-11-12-22-13-16-25(19-22)33(8,9)30-28-20-23(31(2,3)4)14-17-26(28)27-18-15-24(21-29(27)30)32(5,6)7;1-9-10-19-32(8,24-13-11-12-14-24)29-27-20-22(30(2,3)4)15-17-25(27)26-18-16-23(21-28(26)29)31(5,6)7;;;;;;;;;;;;;;;;;;;;;;;;;/h2*10-20,22-23,25-26,29-30,35-41H,1,21,24,27-28H2,2-9H3;8,16-19,23-25,28-33H,1,9-15,20-22H2,2-7H3;10,14-15,17-18,20-22,25-30H,1,11-13,16,19H2,2-9H3;9,15-18,20-21,24-29H,1,10-14,19H2,2-8H3;10*1H3;10*1H;;;;;/q;;;;;10*-1;;;;;;;;;;;5*+4/p-10.
What are the key properties of 9-[1-(3-but-3-enylcyclopentyl)cyclohexyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;(3-but-3-enylcyclopentyl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;but-3-enyl-cyclopentyl-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methylsilane;carbanide;bis([3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]-dimethyl-prop-2-enylsilane);pentakis(dichlorozirconium(2+))?
9-[1-(3-but-3-enylcyclopentyl)cyclohexyl]-2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene;(3-but-3-enylcyclopentyl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;but-3-enyl-cyclopentyl-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methylsilane;carbanide;bis([3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]-dimethyl-prop-2-enylsilane);pentakis(dichlorozirconium(2+)) has a molecular weight of 3589.54 g/mol, XLogP of 65.60, 29 rotatable bonds, 0 hydrogen bond donors, and 0 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;(3-but-3-enylcyclopentyl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;but-3-enyl-cyclopentyl-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methylsilane;carbanide;bis([3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]-dimethyl-prop-2-enylsilane);pentakis(dichlorozirconium(2+)) is sourced from PubChem (CID 162277138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).