2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane;10-[2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)ethyl]-8-chloro-5-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole;bis(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane;10-[8-boratricyclo[7.4.0.02,7]tridecan-8-yl(diphenyl)methyl]-5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole;carbanide;dichlorotitanium;tetrakis(dichlorozirconium(2+));10-[2-(12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosanyl)propan-2-yl]-5-phenyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole

C196H322BCl11N6Si2TiZr4-2 — CID 162280552

IUPAC2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane;10-[2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)ethyl]-8-chloro-5-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole;bis(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane;10-[8-boratricyclo[7.4.0.02,7]tridecan-8-yl(diphenyl)methyl]-5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole;carbanide;dichlorotitanium;tetrakis(dichlorozirconium(2+));10-[2-(12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosanyl)propan-2-yl]-5-phenyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole
SMILESCC(C)(C1C2CCC3CCCCC3C2C2C3CCCCC3CCC21)C1C2CCCCC2C2C1C1CCCCC1N2c1ccccc1.CC1CCC2C(C1)C1C(C3CCCCC3C1C(B1C3CCCCC3C3CCCCC13)(c1ccccc1)c1ccccc1)N2C.CC1CCC2C(C1)C1C(C3CCCCC3C1[Si](C)(C)C1C3CCCCC3C3C1C1CC(C)CCC1N3C)N2C.CC1CCC2C(C1)C1C(C3CCCCC3C1[Si](C)(C)C1C3CCCCC3C3CCCCC31)N2C.CN1C2CCC(Cl)CC2C2C(CCC3C4CCCCC4C4CCCCC43)C3CCCCC3C21.Cl[Ti]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/C45H67N.C42H58BN.C36H62N2Si.C32H55NSi.C31H50ClN.10CH3.10ClH.Ti.4Zr/c1-45(2,42-36-26-24-28-14-6-8-18-31(28)39(36)40-32-19-9-7-15-29(32)25-27-37(40)42)43-33-20-10-11-21-34(33)44-41(43)35-22-12-13-23-38(35)46(44)30-16-4-3-5-17-30;1-28-25-26-38-35(27-28)39-40(33-21-9-10-22-34(33)41(39)44(38)2)42(29-15-5-3-6-16-29,30-17-7-4-8-18-30)43-36-23-13-11-19-31(36)32-20-12-14-24-37(32)43;1-21-15-17-29-27(19-21)31-33(37(29)3)23-11-7-9-13-25(23)35(31)39(5,6)36-26-14-10-8-12-24(26)34-32(36)28-20-22(2)16-18-30(28)38(34)4;1-20-17-18-28-27(19-20)29-30(33(28)2)23-13-7-10-16-26(23)32(29)34(3,4)31-24-14-8-5-11-21(24)22-12-6-9-15-25(22)31;1-33-29-17-14-19(32)18-28(29)30-26(24-12-6-7-13-27(24)31(30)33)16-15-25-22-10-4-2-8-20(22)21-9-3-5-11-23(21)25;;;;;;;;;;;;;;;;;;;;;;;;;/h3-5,16-17,28-29,31-44H,6-15,18-27H2,1-2H3;3-8,15-18,28,31-41H,9-14,19-27H2,1-2H3;21-36H,7-20H2,1-6H3;20-32H,5-19H2,1-4H3;19-31H,2-18H2,1H3;10*1H3;10*1H;;;;;/q;;;;;10*-1;;;;;;;;;;;+2;4*+4/p-10
InChIKeyUYXCTJJZSZOUDG-UHFFFAOYSA-D
MW3632.50 g/mol
LogP58.82
Rot. Bonds14

About 2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane;10-[2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)ethyl]-8-chloro-5-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole;bis(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane;10-[8-boratricyclo[7.4.0.02,7]tridecan-8-yl(diphenyl)methyl]-5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole;carbanide;dichlorotitanium;tetrakis(dichlorozirconium(2+));10-[2-(12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosanyl)propan-2-yl]-5-phenyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole

2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane;10-[2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)ethyl]-8-chloro-5-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole;bis(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane;10-[8-boratricyclo[7.4.0.02,7]tridecan-8-yl(diphenyl)methyl]-5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole;carbanide;dichlorotitanium;tetrakis(dichlorozirconium(2+));10-[2-(12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosanyl)propan-2-yl]-5-phenyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole (PubChem CID 162280552) has the molecular formula C196H322BCl11N6Si2TiZr4-2 and a molecular weight of 3632.50 g/mol. Its IUPAC name is 2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane;10-[2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)ethyl]-8-chloro-5-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole;bis(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane;10-[8-boratricyclo[7.4.0.02,7]tridecan-8-yl(diphenyl)methyl]-5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole;carbanide;dichlorotitanium;tetrakis(dichlorozirconium(2+));10-[2-(12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosanyl)propan-2-yl]-5-phenyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole.

Molecular Properties

Compound Name2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane;10-[2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)ethyl]-8-chloro-5-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole;bis(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane;10-[8-boratricyclo[7.4.0.02,7]tridecan-8-yl(diphenyl)methyl]-5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole;carbanide;dichlorotitanium;tetrakis(dichlorozirconium(2+));10-[2-(12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosanyl)propan-2-yl]-5-phenyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole
PubChem CID162280552
Molecular FormulaC196H322BCl11N6Si2TiZr4-2
Molecular Weight3632.50 g/mol
Exact Mass3619.73
IUPAC Name2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane;10-[2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)ethyl]-8-chloro-5-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole;bis(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane;10-[8-boratricyclo[7.4.0.02,7]tridecan-8-yl(diphenyl)methyl]-5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole;carbanide;dichlorotitanium;tetrakis(dichlorozirconium(2+));10-[2-(12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosanyl)propan-2-yl]-5-phenyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole
SMILESCC(C)(C1C2CCC3CCCCC3C2C2C3CCCCC3CCC21)C1C2CCCCC2C2C1C1CCCCC1N2c1ccccc1.CC1CCC2C(C1)C1C(C3CCCCC3C1C(B1C3CCCCC3C3CCCCC13)(c1ccccc1)c1ccccc1)N2C.CC1CCC2C(C1)C1C(C3CCCCC3C1[Si](C)(C)C1C3CCCCC3C3C1C1CC(C)CCC1N3C)N2C.CC1CCC2C(C1)C1C(C3CCCCC3C1[Si](C)(C)C1C3CCCCC3C3CCCCC31)N2C.CN1C2CCC(Cl)CC2C2C(CCC3C4CCCCC4C4CCCCC43)C3CCCCC3C21.Cl[Ti]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/C45H67N.C42H58BN.C36H62N2Si.C32H55NSi.C31H50ClN.10CH3.10ClH.Ti.4Zr/c1-45(2,42-36-26-24-28-14-6-8-18-31(28)39(36)40-32-19-9-7-15-29(32)25-27-37(40)42)43-33-20-10-11-21-34(33)44-41(43)35-22-12-13-23-38(35)46(44)30-16-4-3-5-17-30;1-28-25-26-38-35(27-28)39-40(33-21-9-10-22-34(33)41(39)44(38)2)42(29-15-5-3-6-16-29,30-17-7-4-8-18-30)43-36-23-13-11-19-31(36)32-20-12-14-24-37(32)43;1-21-15-17-29-27(19-21)31-33(37(29)3)23-11-7-9-13-25(23)35(31)39(5,6)36-26-14-10-8-12-24(26)34-32(36)28-20-22(2)16-18-30(28)38(34)4;1-20-17-18-28-27(19-20)29-30(33(28)2)23-13-7-10-16-26(23)32(29)34(3,4)31-24-14-8-5-11-21(24)22-12-6-9-15-25(22)31;1-33-29-17-14-19(32)18-28(29)30-26(24-12-6-7-13-27(24)31(30)33)16-15-25-22-10-4-2-8-20(22)21-9-3-5-11-23(21)25;;;;;;;;;;;;;;;;;;;;;;;;;/h3-5,16-17,28-29,31-44H,6-15,18-27H2,1-2H3;3-8,15-18,28,31-41H,9-14,19-27H2,1-2H3;21-36H,7-20H2,1-6H3;20-32H,5-19H2,1-4H3;19-31H,2-18H2,1H3;10*1H3;10*1H;;;;;/q;;;;;10*-1;;;;;;;;;;;+2;4*+4/p-10
InChIKeyUYXCTJJZSZOUDG-UHFFFAOYSA-D
XLogP58.82
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms221
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003632.50
LogP ≤ 558.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane;10-[2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)ethyl]-8-chloro-5-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole;bis(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane;10-[8-boratricyclo[7.4.0.02,7]tridecan-8-yl(diphenyl)methyl]-5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole;carbanide;dichlorotitanium;tetrakis(dichlorozirconium(2+));10-[2-(12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosanyl)propan-2-yl]-5-phenyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane;10-[2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)ethyl]-8-chloro-5-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole;bis(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane;10-[8-boratricyclo[7.4.0.02,7]tridecan-8-yl(diphenyl)methyl]-5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole;carbanide;dichlorotitanium;tetrakis(dichlorozirconium(2+));10-[2-(12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosanyl)propan-2-yl]-5-phenyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole?
The IUPAC name of 2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane;10-[2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)ethyl]-8-chloro-5-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole;bis(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane;10-[8-boratricyclo[7.4.0.02,7]tridecan-8-yl(diphenyl)methyl]-5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole;carbanide;dichlorotitanium;tetrakis(dichlorozirconium(2+));10-[2-(12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosanyl)propan-2-yl]-5-phenyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole (CID 162280552) is 2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane;10-[2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)ethyl]-8-chloro-5-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole;bis(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane;10-[8-boratricyclo[7.4.0.02,7]tridecan-8-yl(diphenyl)methyl]-5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole;carbanide;dichlorotitanium;tetrakis(dichlorozirconium(2+));10-[2-(12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosanyl)propan-2-yl]-5-phenyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole.
What is the SMILES notation for 2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane;10-[2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)ethyl]-8-chloro-5-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole;bis(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane;10-[8-boratricyclo[7.4.0.02,7]tridecan-8-yl(diphenyl)methyl]-5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole;carbanide;dichlorotitanium;tetrakis(dichlorozirconium(2+));10-[2-(12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosanyl)propan-2-yl]-5-phenyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole?
The canonical SMILES for 2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane;10-[2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)ethyl]-8-chloro-5-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole;bis(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane;10-[8-boratricyclo[7.4.0.02,7]tridecan-8-yl(diphenyl)methyl]-5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole;carbanide;dichlorotitanium;tetrakis(dichlorozirconium(2+));10-[2-(12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosanyl)propan-2-yl]-5-phenyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole is CC(C)(C1C2CCC3CCCCC3C2C2C3CCCCC3CCC21)C1C2CCCCC2C2C1C1CCCCC1N2c1ccccc1.CC1CCC2C(C1)C1C(C3CCCCC3C1C(B1C3CCCCC3C3CCCCC13)(c1ccccc1)c1ccccc1)N2C.CC1CCC2C(C1)C1C(C3CCCCC3C1[Si](C)(C)C1C3CCCCC3C3C1C1CC(C)CCC1N3C)N2C.CC1CCC2C(C1)C1C(C3CCCCC3C1[Si](C)(C)C1C3CCCCC3C3CCCCC31)N2C.CN1C2CCC(Cl)CC2C2C(CCC3C4CCCCC4C4CCCCC43)C3CCCCC3C21.Cl[Ti]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 2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane;10-[2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)ethyl]-8-chloro-5-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole;bis(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane;10-[8-boratricyclo[7.4.0.02,7]tridecan-8-yl(diphenyl)methyl]-5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole;carbanide;dichlorotitanium;tetrakis(dichlorozirconium(2+));10-[2-(12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosanyl)propan-2-yl]-5-phenyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole?
The InChIKey is UYXCTJJZSZOUDG-UHFFFAOYSA-D. The full InChI is InChI=1S/C45H67N.C42H58BN.C36H62N2Si.C32H55NSi.C31H50ClN.10CH3.10ClH.Ti.4Zr/c1-45(2,42-36-26-24-28-14-6-8-18-31(28)39(36)40-32-19-9-7-15-29(32)25-27-37(40)42)43-33-20-10-11-21-34(33)44-41(43)35-22-12-13-23-38(35)46(44)30-16-4-3-5-17-30;1-28-25-26-38-35(27-28)39-40(33-21-9-10-22-34(33)41(39)44(38)2)42(29-15-5-3-6-16-29,30-17-7-4-8-18-30)43-36-23-13-11-19-31(36)32-20-12-14-24-37(32)43;1-21-15-17-29-27(19-21)31-33(37(29)3)23-11-7-9-13-25(23)35(31)39(5,6)36-26-14-10-8-12-24(26)34-32(36)28-20-22(2)16-18-30(28)38(34)4;1-20-17-18-28-27(19-20)29-30(33(28)2)23-13-7-10-16-26(23)32(29)34(3,4)31-24-14-8-5-11-21(24)22-12-6-9-15-25(22)31;1-33-29-17-14-19(32)18-28(29)30-26(24-12-6-7-13-27(24)31(30)33)16-15-25-22-10-4-2-8-20(22)21-9-3-5-11-23(21)25;;;;;;;;;;;;;;;;;;;;;;;;;/h3-5,16-17,28-29,31-44H,6-15,18-27H2,1-2H3;3-8,15-18,28,31-41H,9-14,19-27H2,1-2H3;21-36H,7-20H2,1-6H3;20-32H,5-19H2,1-4H3;19-31H,2-18H2,1H3;10*1H3;10*1H;;;;;/q;;;;;10*-1;;;;;;;;;;;+2;4*+4/p-10.
What are the key properties of 2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane;10-[2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)ethyl]-8-chloro-5-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole;bis(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane;10-[8-boratricyclo[7.4.0.02,7]tridecan-8-yl(diphenyl)methyl]-5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole;carbanide;dichlorotitanium;tetrakis(dichlorozirconium(2+));10-[2-(12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosanyl)propan-2-yl]-5-phenyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole?
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane;10-[2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)ethyl]-8-chloro-5-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole;bis(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane;10-[8-boratricyclo[7.4.0.02,7]tridecan-8-yl(diphenyl)methyl]-5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole;carbanide;dichlorotitanium;tetrakis(dichlorozirconium(2+));10-[2-(12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosanyl)propan-2-yl]-5-phenyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole has a molecular weight of 3632.50 g/mol, XLogP of 58.82, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane;10-[2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)ethyl]-8-chloro-5-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole;bis(5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-dimethylsilane;10-[8-boratricyclo[7.4.0.02,7]tridecan-8-yl(diphenyl)methyl]-5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole;carbanide;dichlorotitanium;tetrakis(dichlorozirconium(2+));10-[2-(12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosanyl)propan-2-yl]-5-phenyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole is sourced from PubChem (CID 162280552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).