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;carbanide;bis(dichlorozirconium(2+));methyl-bis(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane

C88H123Cl4N3O2Si2Zr2 — CID 162286500

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;carbanide;bis(dichlorozirconium(2+));methyl-bis(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
SMILESCN1c2ccccc2C2C1C1C=CC=CC1C2[Si](C)(CCCCCCOC(C)(C)C)C1C2C=CC=CC2C2C1c1ccccc1N2C.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.[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C43H56N2OSi.C41H55NOSi.4CH3.4ClH.2Zr/c1-43(2,3)46-27-17-7-8-18-28-47(6,41-31-21-11-9-19-29(31)39-37(41)33-23-13-15-25-35(33)44(39)4)42-32-22-12-10-20-30(32)40-38(42)34-24-14-16-26-36(34)45(40)5;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;;;;;;;;;;/h9-16,19-26,29-32,37-42H,7-8,17-18,27-28H2,1-6H3;9-14,17-24,27,29-34,37-40H,7-8,15-16,25-26H2,1-6H3;4*1H3;4*1H;;/q;;4*-1;;;;;2*+4/p-4
InChIKeyRYULCGHQYCWCDD-UHFFFAOYSA-J
MW1635.40 g/mol
LogP24.88
Rot. Bonds18

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;carbanide;bis(dichlorozirconium(2+));methyl-bis(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane

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;carbanide;bis(dichlorozirconium(2+));methyl-bis(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (PubChem CID 162286500) has the molecular formula C88H123Cl4N3O2Si2Zr2 and a molecular weight of 1635.40 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;carbanide;bis(dichlorozirconium(2+));methyl-bis(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.

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;carbanide;bis(dichlorozirconium(2+));methyl-bis(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
PubChem CID162286500
Molecular FormulaC88H123Cl4N3O2Si2Zr2
Molecular Weight1635.40 g/mol
Exact Mass1629.60
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;carbanide;bis(dichlorozirconium(2+));methyl-bis(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
SMILESCN1c2ccccc2C2C1C1C=CC=CC1C2[Si](C)(CCCCCCOC(C)(C)C)C1C2C=CC=CC2C2C1c1ccccc1N2C.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.[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C43H56N2OSi.C41H55NOSi.4CH3.4ClH.2Zr/c1-43(2,3)46-27-17-7-8-18-28-47(6,41-31-21-11-9-19-29(31)39-37(41)33-23-13-15-25-35(33)44(39)4)42-32-22-12-10-20-30(32)40-38(42)34-24-14-16-26-36(34)45(40)5;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;;;;;;;;;;/h9-16,19-26,29-32,37-42H,7-8,17-18,27-28H2,1-6H3;9-14,17-24,27,29-34,37-40H,7-8,15-16,25-26H2,1-6H3;4*1H3;4*1H;;/q;;4*-1;;;;;2*+4/p-4
InChIKeyRYULCGHQYCWCDD-UHFFFAOYSA-J
XLogP24.88
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001635.40
LogP ≤ 524.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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;carbanide;bis(dichlorozirconium(2+));methyl-bis(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane 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;carbanide;bis(dichlorozirconium(2+));methyl-bis(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
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;carbanide;bis(dichlorozirconium(2+));methyl-bis(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (CID 162286500) 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;carbanide;bis(dichlorozirconium(2+));methyl-bis(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.
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;carbanide;bis(dichlorozirconium(2+));methyl-bis(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
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;carbanide;bis(dichlorozirconium(2+));methyl-bis(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is CN1c2ccccc2C2C1C1C=CC=CC1C2[Si](C)(CCCCCCOC(C)(C)C)C1C2C=CC=CC2C2C1c1ccccc1N2C.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.[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;carbanide;bis(dichlorozirconium(2+));methyl-bis(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The InChIKey is RYULCGHQYCWCDD-UHFFFAOYSA-J. The full InChI is InChI=1S/C43H56N2OSi.C41H55NOSi.4CH3.4ClH.2Zr/c1-43(2,3)46-27-17-7-8-18-28-47(6,41-31-21-11-9-19-29(31)39-37(41)33-23-13-15-25-35(33)44(39)4)42-32-22-12-10-20-30(32)40-38(42)34-24-14-16-26-36(34)45(40)5;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;;;;;;;;;;/h9-16,19-26,29-32,37-42H,7-8,17-18,27-28H2,1-6H3;9-14,17-24,27,29-34,37-40H,7-8,15-16,25-26H2,1-6H3;4*1H3;4*1H;;/q;;4*-1;;;;;2*+4/p-4.
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;carbanide;bis(dichlorozirconium(2+));methyl-bis(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
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;carbanide;bis(dichlorozirconium(2+));methyl-bis(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane has a molecular weight of 1635.40 g/mol, XLogP of 24.88, 18 rotatable bonds, 0 hydrogen bond donors, and 5 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;carbanide;bis(dichlorozirconium(2+));methyl-bis(5-methyl-4b,9b,10,10a-tetrahydro-4aH-indeno[1,2-b]indol-10-yl)-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is sourced from PubChem (CID 162286500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).