4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(3-but-3-enylcyclopentyl)-diphenylsilane;(3-but-3-enylcyclopentyl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;carbanide;2,7-ditert-butyl-9-[[3-[(E)-8-[3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]oct-4-enyl]cyclopentyl]-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)non-8-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[1-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)oct-7-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[2-(2-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)oct-7-enyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;heptakis(dichlorozirconium(2+))

C310H442Cl14Si2Zr7 — CID 162276988

IUPAC4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(3-but-3-enylcyclopentyl)-diphenylsilane;(3-but-3-enylcyclopentyl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;carbanide;2,7-ditert-butyl-9-[[3-[(E)-8-[3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]oct-4-enyl]cyclopentyl]-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)non-8-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[1-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)oct-7-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[2-(2-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)oct-7-enyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;heptakis(dichlorozirconium(2+))
SMILESC=CCCC1CCC([Si](C)(C)C2C3C=C(C(C)(C)C)C=CC3C3C=CC(C(C)(C)C)=CC32)C1.C=CCCC1CCC([Si](c2ccccc2)(c2ccccc2)C2C3C=CC=CC3C3C=CC=CC32)C1.C=CCCCCC(CC1C2C=C(C(C)(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=CCCCCC(CC1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21)C1C2C=CC=CC2C2C=CC(C)=CC21.C=CCCCCCC(C)(C1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21)C1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21.CC(C)(C)C1=CC2C(C=C1)C1C=CC(C(C)(C)C)=CC1C2C(c1ccccc1)(c1ccccc1)C1CCC(CCC/C=C/CCCC2CCC(C(c3ccccc3)(c3ccccc3)C3C4C=C(C(C)(C)C)C=CC4C4C=CC(C(C)(C)C)=CC43)C2)C1.Cl[Zr+2]Cl.Cl[Zr+2]Cl.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-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C86H108.C51H74.C50H72.C43H58.C34H38Si.C32H50Si.14CH3.14ClH.7Zr/c1-81(2,3)65-45-49-71-72-50-46-66(82(4,5)6)56-76(72)79(75(71)55-65)85(61-33-23-17-24-34-61,62-35-25-18-26-36-62)69-43-41-59(53-69)31-21-15-13-14-16-22-32-60-42-44-70(54-60)86(63-37-27-19-28-38-63,64-39-29-20-30-40-64)80-77-57-67(83(7,8)9)47-51-73(77)74-52-48-68(58-78(74)80)84(10,11)12;1-15-16-17-18-19-28-51(14,45-41-29-33(47(2,3)4)20-24-37(41)38-25-21-34(30-42(38)45)48(5,6)7)46-43-31-35(49(8,9)10)22-26-39(43)40-27-23-36(32-44(40)46)50(11,12)13;1-14-15-16-17-18-32(46-44-30-35(49(8,9)10)21-25-39(44)40-26-22-36(31-45(40)46)50(11,12)13)27-41-42-28-33(47(2,3)4)19-23-37(42)38-24-20-34(29-43(38)41)48(5,6)7;1-9-10-11-12-15-29(41-36-17-14-13-16-32(36)35-21-18-28(2)24-40(35)41)25-37-38-26-30(42(3,4)5)19-22-33(38)34-23-20-31(27-39(34)37)43(6,7)8;1-2-3-14-26-23-24-29(25-26)35(27-15-6-4-7-16-27,28-17-8-5-9-18-28)34-32-21-12-10-19-30(32)31-20-11-13-22-33(31)34;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;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h13-14,17-20,23-30,33-40,45-52,55-60,69-80H,15-16,21-22,31-32,41-44,53-54H2,1-12H3;15,20-27,29-32,37-46H,1,16-19,28H2,2-14H3;14,19-26,28-32,37-46H,1,15-18,27H2,2-13H3;9,13-14,16-24,26-27,29,32-41H,1,10-12,15,25H2,2-8H3;2,4-13,15-22,26,29-34H,1,3,14,23-25H2;10,14-15,17-18,20-22,25-30H,1,11-13,16,19H2,2-9H3;14*1H3;14*1H;;;;;;;/q;;;;;;14*-1;;;;;;;;;;;;;;;7*+4/p-14/b14-13+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyZQQKPDQZBNACDG-JXVXJZSPSA-A
MW5360.03 g/mol
LogP96.48
Rot. Bonds52

About 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(3-but-3-enylcyclopentyl)-diphenylsilane;(3-but-3-enylcyclopentyl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;carbanide;2,7-ditert-butyl-9-[[3-[(E)-8-[3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]oct-4-enyl]cyclopentyl]-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)non-8-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[1-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)oct-7-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[2-(2-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)oct-7-enyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;heptakis(dichlorozirconium(2+))

4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(3-but-3-enylcyclopentyl)-diphenylsilane;(3-but-3-enylcyclopentyl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;carbanide;2,7-ditert-butyl-9-[[3-[(E)-8-[3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]oct-4-enyl]cyclopentyl]-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)non-8-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[1-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)oct-7-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[2-(2-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)oct-7-enyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;heptakis(dichlorozirconium(2+)) (PubChem CID 162276988) has the molecular formula C310H442Cl14Si2Zr7 and a molecular weight of 5360.03 g/mol. Its IUPAC name is 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(3-but-3-enylcyclopentyl)-diphenylsilane;(3-but-3-enylcyclopentyl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;carbanide;2,7-ditert-butyl-9-[[3-[(E)-8-[3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]oct-4-enyl]cyclopentyl]-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)non-8-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[1-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)oct-7-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[2-(2-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)oct-7-enyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;heptakis(dichlorozirconium(2+)).

Molecular Properties

Compound Name4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(3-but-3-enylcyclopentyl)-diphenylsilane;(3-but-3-enylcyclopentyl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;carbanide;2,7-ditert-butyl-9-[[3-[(E)-8-[3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]oct-4-enyl]cyclopentyl]-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)non-8-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[1-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)oct-7-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[2-(2-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)oct-7-enyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;heptakis(dichlorozirconium(2+))
PubChem CID162276988
Molecular FormulaC310H442Cl14Si2Zr7
Molecular Weight5360.03 g/mol
Exact Mass5340.31
IUPAC Name4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(3-but-3-enylcyclopentyl)-diphenylsilane;(3-but-3-enylcyclopentyl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;carbanide;2,7-ditert-butyl-9-[[3-[(E)-8-[3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]oct-4-enyl]cyclopentyl]-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)non-8-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[1-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)oct-7-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[2-(2-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)oct-7-enyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;heptakis(dichlorozirconium(2+))
SMILESC=CCCC1CCC([Si](C)(C)C2C3C=C(C(C)(C)C)C=CC3C3C=CC(C(C)(C)C)=CC32)C1.C=CCCC1CCC([Si](c2ccccc2)(c2ccccc2)C2C3C=CC=CC3C3C=CC=CC32)C1.C=CCCCCC(CC1C2C=C(C(C)(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=CCCCCC(CC1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21)C1C2C=CC=CC2C2C=CC(C)=CC21.C=CCCCCCC(C)(C1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21)C1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21.CC(C)(C)C1=CC2C(C=C1)C1C=CC(C(C)(C)C)=CC1C2C(c1ccccc1)(c1ccccc1)C1CCC(CCC/C=C/CCCC2CCC(C(c3ccccc3)(c3ccccc3)C3C4C=C(C(C)(C)C)C=CC4C4C=CC(C(C)(C)C)=CC43)C2)C1.Cl[Zr+2]Cl.Cl[Zr+2]Cl.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-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C86H108.C51H74.C50H72.C43H58.C34H38Si.C32H50Si.14CH3.14ClH.7Zr/c1-81(2,3)65-45-49-71-72-50-46-66(82(4,5)6)56-76(72)79(75(71)55-65)85(61-33-23-17-24-34-61,62-35-25-18-26-36-62)69-43-41-59(53-69)31-21-15-13-14-16-22-32-60-42-44-70(54-60)86(63-37-27-19-28-38-63,64-39-29-20-30-40-64)80-77-57-67(83(7,8)9)47-51-73(77)74-52-48-68(58-78(74)80)84(10,11)12;1-15-16-17-18-19-28-51(14,45-41-29-33(47(2,3)4)20-24-37(41)38-25-21-34(30-42(38)45)48(5,6)7)46-43-31-35(49(8,9)10)22-26-39(43)40-27-23-36(32-44(40)46)50(11,12)13;1-14-15-16-17-18-32(46-44-30-35(49(8,9)10)21-25-39(44)40-26-22-36(31-45(40)46)50(11,12)13)27-41-42-28-33(47(2,3)4)19-23-37(42)38-24-20-34(29-43(38)41)48(5,6)7;1-9-10-11-12-15-29(41-36-17-14-13-16-32(36)35-21-18-28(2)24-40(35)41)25-37-38-26-30(42(3,4)5)19-22-33(38)34-23-20-31(27-39(34)37)43(6,7)8;1-2-3-14-26-23-24-29(25-26)35(27-15-6-4-7-16-27,28-17-8-5-9-18-28)34-32-21-12-10-19-30(32)31-20-11-13-22-33(31)34;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;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h13-14,17-20,23-30,33-40,45-52,55-60,69-80H,15-16,21-22,31-32,41-44,53-54H2,1-12H3;15,20-27,29-32,37-46H,1,16-19,28H2,2-14H3;14,19-26,28-32,37-46H,1,15-18,27H2,2-13H3;9,13-14,16-24,26-27,29,32-41H,1,10-12,15,25H2,2-8H3;2,4-13,15-22,26,29-34H,1,3,14,23-25H2;10,14-15,17-18,20-22,25-30H,1,11-13,16,19H2,2-9H3;14*1H3;14*1H;;;;;;;/q;;;;;;14*-1;;;;;;;;;;;;;;;7*+4/p-14/b14-13+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyZQQKPDQZBNACDG-JXVXJZSPSA-A
XLogP96.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds52
Heavy Atoms333
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5005360.03
LogP ≤ 596.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(3-but-3-enylcyclopentyl)-diphenylsilane;(3-but-3-enylcyclopentyl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;carbanide;2,7-ditert-butyl-9-[[3-[(E)-8-[3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]oct-4-enyl]cyclopentyl]-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)non-8-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[1-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)oct-7-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[2-(2-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)oct-7-enyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;heptakis(dichlorozirconium(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(3-but-3-enylcyclopentyl)-diphenylsilane;(3-but-3-enylcyclopentyl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;carbanide;2,7-ditert-butyl-9-[[3-[(E)-8-[3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]oct-4-enyl]cyclopentyl]-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)non-8-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[1-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)oct-7-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[2-(2-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)oct-7-enyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;heptakis(dichlorozirconium(2+))?
The IUPAC name of 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(3-but-3-enylcyclopentyl)-diphenylsilane;(3-but-3-enylcyclopentyl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;carbanide;2,7-ditert-butyl-9-[[3-[(E)-8-[3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]oct-4-enyl]cyclopentyl]-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)non-8-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[1-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)oct-7-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[2-(2-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)oct-7-enyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;heptakis(dichlorozirconium(2+)) (CID 162276988) is 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(3-but-3-enylcyclopentyl)-diphenylsilane;(3-but-3-enylcyclopentyl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;carbanide;2,7-ditert-butyl-9-[[3-[(E)-8-[3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]oct-4-enyl]cyclopentyl]-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)non-8-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[1-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)oct-7-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[2-(2-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)oct-7-enyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;heptakis(dichlorozirconium(2+)).
What is the SMILES notation for 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(3-but-3-enylcyclopentyl)-diphenylsilane;(3-but-3-enylcyclopentyl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;carbanide;2,7-ditert-butyl-9-[[3-[(E)-8-[3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]oct-4-enyl]cyclopentyl]-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)non-8-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[1-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)oct-7-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[2-(2-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)oct-7-enyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;heptakis(dichlorozirconium(2+))?
The canonical SMILES for 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(3-but-3-enylcyclopentyl)-diphenylsilane;(3-but-3-enylcyclopentyl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;carbanide;2,7-ditert-butyl-9-[[3-[(E)-8-[3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]oct-4-enyl]cyclopentyl]-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)non-8-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[1-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)oct-7-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[2-(2-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)oct-7-enyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;heptakis(dichlorozirconium(2+)) is C=CCCC1CCC([Si](C)(C)C2C3C=C(C(C)(C)C)C=CC3C3C=CC(C(C)(C)C)=CC32)C1.C=CCCC1CCC([Si](c2ccccc2)(c2ccccc2)C2C3C=CC=CC3C3C=CC=CC32)C1.C=CCCCCC(CC1C2C=C(C(C)(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=CCCCCC(CC1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21)C1C2C=CC=CC2C2C=CC(C)=CC21.C=CCCCCCC(C)(C1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21)C1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21.CC(C)(C)C1=CC2C(C=C1)C1C=CC(C(C)(C)C)=CC1C2C(c1ccccc1)(c1ccccc1)C1CCC(CCC/C=C/CCCC2CCC(C(c3ccccc3)(c3ccccc3)C3C4C=C(C(C)(C)C)C=CC4C4C=CC(C(C)(C)C)=CC43)C2)C1.Cl[Zr+2]Cl.Cl[Zr+2]Cl.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-].[CH3-].[CH3-].[CH3-].[CH3-].
What is the InChIKey of 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(3-but-3-enylcyclopentyl)-diphenylsilane;(3-but-3-enylcyclopentyl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;carbanide;2,7-ditert-butyl-9-[[3-[(E)-8-[3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]oct-4-enyl]cyclopentyl]-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)non-8-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[1-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)oct-7-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[2-(2-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)oct-7-enyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;heptakis(dichlorozirconium(2+))?
The InChIKey is ZQQKPDQZBNACDG-JXVXJZSPSA-A. The full InChI is InChI=1S/C86H108.C51H74.C50H72.C43H58.C34H38Si.C32H50Si.14CH3.14ClH.7Zr/c1-81(2,3)65-45-49-71-72-50-46-66(82(4,5)6)56-76(72)79(75(71)55-65)85(61-33-23-17-24-34-61,62-35-25-18-26-36-62)69-43-41-59(53-69)31-21-15-13-14-16-22-32-60-42-44-70(54-60)86(63-37-27-19-28-38-63,64-39-29-20-30-40-64)80-77-57-67(83(7,8)9)47-51-73(77)74-52-48-68(58-78(74)80)84(10,11)12;1-15-16-17-18-19-28-51(14,45-41-29-33(47(2,3)4)20-24-37(41)38-25-21-34(30-42(38)45)48(5,6)7)46-43-31-35(49(8,9)10)22-26-39(43)40-27-23-36(32-44(40)46)50(11,12)13;1-14-15-16-17-18-32(46-44-30-35(49(8,9)10)21-25-39(44)40-26-22-36(31-45(40)46)50(11,12)13)27-41-42-28-33(47(2,3)4)19-23-37(42)38-24-20-34(29-43(38)41)48(5,6)7;1-9-10-11-12-15-29(41-36-17-14-13-16-32(36)35-21-18-28(2)24-40(35)41)25-37-38-26-30(42(3,4)5)19-22-33(38)34-23-20-31(27-39(34)37)43(6,7)8;1-2-3-14-26-23-24-29(25-26)35(27-15-6-4-7-16-27,28-17-8-5-9-18-28)34-32-21-12-10-19-30(32)31-20-11-13-22-33(31)34;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;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h13-14,17-20,23-30,33-40,45-52,55-60,69-80H,15-16,21-22,31-32,41-44,53-54H2,1-12H3;15,20-27,29-32,37-46H,1,16-19,28H2,2-14H3;14,19-26,28-32,37-46H,1,15-18,27H2,2-13H3;9,13-14,16-24,26-27,29,32-41H,1,10-12,15,25H2,2-8H3;2,4-13,15-22,26,29-34H,1,3,14,23-25H2;10,14-15,17-18,20-22,25-30H,1,11-13,16,19H2,2-9H3;14*1H3;14*1H;;;;;;;/q;;;;;;14*-1;;;;;;;;;;;;;;;7*+4/p-14/b14-13+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(3-but-3-enylcyclopentyl)-diphenylsilane;(3-but-3-enylcyclopentyl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;carbanide;2,7-ditert-butyl-9-[[3-[(E)-8-[3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]oct-4-enyl]cyclopentyl]-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)non-8-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[1-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)oct-7-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[2-(2-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)oct-7-enyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;heptakis(dichlorozirconium(2+))?
4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(3-but-3-enylcyclopentyl)-diphenylsilane;(3-but-3-enylcyclopentyl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;carbanide;2,7-ditert-butyl-9-[[3-[(E)-8-[3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]oct-4-enyl]cyclopentyl]-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)non-8-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[1-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)oct-7-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[2-(2-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)oct-7-enyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;heptakis(dichlorozirconium(2+)) has a molecular weight of 5360.03 g/mol, XLogP of 96.48, 52 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(3-but-3-enylcyclopentyl)-diphenylsilane;(3-but-3-enylcyclopentyl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-dimethylsilane;carbanide;2,7-ditert-butyl-9-[[3-[(E)-8-[3-[(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylmethyl]cyclopentyl]oct-4-enyl]cyclopentyl]-diphenylmethyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[2-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)non-8-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[1-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)oct-7-en-2-yl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;2,7-ditert-butyl-9-[2-(2-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)oct-7-enyl]-4b,8a,9,9a-tetrahydro-4aH-fluorene;heptakis(dichlorozirconium(2+)) is sourced from PubChem (CID 162276988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).