4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(5,8-dimethyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5-phenyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)silane;carbanide;(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;tris(dichlorozirconium(2+))

C140H197Cl6N3O3Si3Zr3 — CID 162279886

IUPAC4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(5,8-dimethyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5-phenyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)silane;carbanide;(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;tris(dichlorozirconium(2+))
SMILESCC(C)(C)OCCCCCC[Si](C)(C1C2C=CC=CC2C2C=CC=CC21)C1C2C=CC=CC2C2C1c1ccccc1N2c1ccccc1.CN1c2ccccc2C2C1C1C=CC=CC1C2[Si](C)(CCCCCCOC(C)(C)C)C1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21.Cc1ccc2c(c1)C1C(C3C=CC=CC3C1[Si](C)(CCCCCCOC(C)(C)C)C1C3C=CC=CC3C3C=CC=CC31)N2C.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C48H69NOSi.C45H55NOSi.C41H55NOSi.6CH3.6ClH.3Zr/c1-46(2,3)32-24-26-34-35-27-25-33(47(4,5)6)31-40(35)44(39(34)30-32)51(11,29-19-13-12-18-28-50-48(7,8)9)45-37-21-15-14-20-36(37)43-42(45)38-22-16-17-23-41(38)49(43)10;1-45(2,3)47-30-18-5-6-19-31-48(4,43-36-25-13-10-22-33(36)34-23-11-14-26-37(34)43)44-38-27-15-12-24-35(38)42-41(44)39-28-16-17-29-40(39)46(42)32-20-8-7-9-21-32;1-28-23-24-36-35(27-28)37-38(42(36)5)31-19-11-14-22-34(31)40(37)44(6,26-16-8-7-15-25-43-41(2,3)4)39-32-20-12-9-17-29(32)30-18-10-13-21-33(30)39;;;;;;;;;;;;;;;/h14-17,20-27,30-31,34-37,39-40,42-45H,12-13,18-19,28-29H2,1-11H3;7-17,20-29,33-38,41-44H,5-6,18-19,30-31H2,1-4H3;9-14,17-24,27,29-34,37-40H,7-8,15-16,25-26H2,1-6H3;6*1H3;6*1H;;;/q;;;6*-1;;;;;;;3*+4/p-6
InChIKeyNWDSOYBJUOEPIQ-UHFFFAOYSA-H
MW2540.78 g/mol
LogP41.33
Rot. Bonds28

About 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(5,8-dimethyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5-phenyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)silane;carbanide;(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;tris(dichlorozirconium(2+))

4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(5,8-dimethyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5-phenyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)silane;carbanide;(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;tris(dichlorozirconium(2+)) (PubChem CID 162279886) has the molecular formula C140H197Cl6N3O3Si3Zr3 and a molecular weight of 2540.78 g/mol. Its IUPAC name is 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(5,8-dimethyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5-phenyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)silane;carbanide;(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;tris(dichlorozirconium(2+)).

Molecular Properties

Compound Name4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(5,8-dimethyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5-phenyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)silane;carbanide;(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;tris(dichlorozirconium(2+))
PubChem CID162279886
Molecular FormulaC140H197Cl6N3O3Si3Zr3
Molecular Weight2540.78 g/mol
Exact Mass2531.99
IUPAC Name4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(5,8-dimethyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5-phenyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)silane;carbanide;(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;tris(dichlorozirconium(2+))
SMILESCC(C)(C)OCCCCCC[Si](C)(C1C2C=CC=CC2C2C=CC=CC21)C1C2C=CC=CC2C2C1c1ccccc1N2c1ccccc1.CN1c2ccccc2C2C1C1C=CC=CC1C2[Si](C)(CCCCCCOC(C)(C)C)C1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21.Cc1ccc2c(c1)C1C(C3C=CC=CC3C1[Si](C)(CCCCCCOC(C)(C)C)C1C3C=CC=CC3C3C=CC=CC31)N2C.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C48H69NOSi.C45H55NOSi.C41H55NOSi.6CH3.6ClH.3Zr/c1-46(2,3)32-24-26-34-35-27-25-33(47(4,5)6)31-40(35)44(39(34)30-32)51(11,29-19-13-12-18-28-50-48(7,8)9)45-37-21-15-14-20-36(37)43-42(45)38-22-16-17-23-41(38)49(43)10;1-45(2,3)47-30-18-5-6-19-31-48(4,43-36-25-13-10-22-33(36)34-23-11-14-26-37(34)43)44-38-27-15-12-24-35(38)42-41(44)39-28-16-17-29-40(39)46(42)32-20-8-7-9-21-32;1-28-23-24-36-35(27-28)37-38(42(36)5)31-19-11-14-22-34(31)40(37)44(6,26-16-8-7-15-25-43-41(2,3)4)39-32-20-12-9-17-29(32)30-18-10-13-21-33(30)39;;;;;;;;;;;;;;;/h14-17,20-27,30-31,34-37,39-40,42-45H,12-13,18-19,28-29H2,1-11H3;7-17,20-29,33-38,41-44H,5-6,18-19,30-31H2,1-4H3;9-14,17-24,27,29-34,37-40H,7-8,15-16,25-26H2,1-6H3;6*1H3;6*1H;;;/q;;;6*-1;;;;;;;3*+4/p-6
InChIKeyNWDSOYBJUOEPIQ-UHFFFAOYSA-H
XLogP41.33
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds28
Heavy Atoms158
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002540.78
LogP ≤ 541.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

Analyze 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(5,8-dimethyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5-phenyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)silane;carbanide;(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;tris(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-(5,8-dimethyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5-phenyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)silane;carbanide;(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;tris(dichlorozirconium(2+))?
The IUPAC name of 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(5,8-dimethyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5-phenyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)silane;carbanide;(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;tris(dichlorozirconium(2+)) (CID 162279886) is 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(5,8-dimethyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5-phenyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)silane;carbanide;(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;tris(dichlorozirconium(2+)).
What is the SMILES notation for 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(5,8-dimethyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5-phenyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)silane;carbanide;(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;tris(dichlorozirconium(2+))?
The canonical SMILES for 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(5,8-dimethyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5-phenyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)silane;carbanide;(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;tris(dichlorozirconium(2+)) is CC(C)(C)OCCCCCC[Si](C)(C1C2C=CC=CC2C2C=CC=CC21)C1C2C=CC=CC2C2C1c1ccccc1N2c1ccccc1.CN1c2ccccc2C2C1C1C=CC=CC1C2[Si](C)(CCCCCCOC(C)(C)C)C1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21.Cc1ccc2c(c1)C1C(C3C=CC=CC3C1[Si](C)(CCCCCCOC(C)(C)C)C1C3C=CC=CC3C3C=CC=CC31)N2C.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].
What is the InChIKey of 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(5,8-dimethyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5-phenyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)silane;carbanide;(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;tris(dichlorozirconium(2+))?
The InChIKey is NWDSOYBJUOEPIQ-UHFFFAOYSA-H. The full InChI is InChI=1S/C48H69NOSi.C45H55NOSi.C41H55NOSi.6CH3.6ClH.3Zr/c1-46(2,3)32-24-26-34-35-27-25-33(47(4,5)6)31-40(35)44(39(34)30-32)51(11,29-19-13-12-18-28-50-48(7,8)9)45-37-21-15-14-20-36(37)43-42(45)38-22-16-17-23-41(38)49(43)10;1-45(2,3)47-30-18-5-6-19-31-48(4,43-36-25-13-10-22-33(36)34-23-11-14-26-37(34)43)44-38-27-15-12-24-35(38)42-41(44)39-28-16-17-29-40(39)46(42)32-20-8-7-9-21-32;1-28-23-24-36-35(27-28)37-38(42(36)5)31-19-11-14-22-34(31)40(37)44(6,26-16-8-7-15-25-43-41(2,3)4)39-32-20-12-9-17-29(32)30-18-10-13-21-33(30)39;;;;;;;;;;;;;;;/h14-17,20-27,30-31,34-37,39-40,42-45H,12-13,18-19,28-29H2,1-11H3;7-17,20-29,33-38,41-44H,5-6,18-19,30-31H2,1-4H3;9-14,17-24,27,29-34,37-40H,7-8,15-16,25-26H2,1-6H3;6*1H3;6*1H;;;/q;;;6*-1;;;;;;;3*+4/p-6.
What are the key properties of 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(5,8-dimethyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5-phenyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)silane;carbanide;(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;tris(dichlorozirconium(2+))?
4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(5,8-dimethyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5-phenyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)silane;carbanide;(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;tris(dichlorozirconium(2+)) has a molecular weight of 2540.78 g/mol, XLogP of 41.33, 28 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(5,8-dimethyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(5-phenyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)silane;carbanide;(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-methyl-(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;tris(dichlorozirconium(2+)) is sourced from PubChem (CID 162279886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).