tert-butyl-[dimethyl-(2-methyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-5-yl)silyl]azanide;bis(tert-butyl-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]azanide);tert-butyl-[2-(2-methyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-5-yl)propan-2-yl]azanide;carbanide;dichlorozirconium(2+);tris(titanium(4+))

C99H194Cl2N8Si3Ti3Zr — CID 162299333

IUPACtert-butyl-[dimethyl-(2-methyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-5-yl)silyl]azanide;bis(tert-butyl-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]azanide);tert-butyl-[2-(2-methyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-5-yl)propan-2-yl]azanide;carbanide;dichlorozirconium(2+);tris(titanium(4+))
SMILESCC1CCC2C(C1)C1C3CCCCC3CC1N2C(C)(C)[N-]C(C)(C)C.CC1CCC2C(C1)C1C3CCCCC3CC1N2[Si](C)(C)[N-]C(C)(C)C.CC1CCC2C(C1)C1CC3CCCCC3C1N2[Si](C)(C)[N-]C(C)(C)C.CC1CCC2C(C1)C1CC3CCCCC3C1N2[Si](C)(C)[N-]C(C)(C)C.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti+4].[Ti+4].[Ti+4]
InChIInChI=1S/C23H41N2.3C22H41N2Si.10CH3.2ClH.3Ti.Zr/c1-15-11-12-19-18(13-15)21-17-10-8-7-9-16(17)14-20(21)25(19)23(5,6)24-22(2,3)4;2*1-15-11-12-20-18(13-15)19-14-16-9-7-8-10-17(16)21(19)24(20)25(5,6)23-22(2,3)4;1-15-11-12-19-18(13-15)21-17-10-8-7-9-16(17)14-20(21)24(19)25(5,6)23-22(2,3)4;;;;;;;;;;;;;;;;/h4*15-21H,7-14H2,1-6H3;10*1H3;2*1H;;;;/q14*-1;;;4*+4/p-2
InChIKeyAJHMAUPATFUJEY-UHFFFAOYSA-L
MW1886.69 g/mol
LogP30.61
Rot. Bonds8

About tert-butyl-[dimethyl-(2-methyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-5-yl)silyl]azanide;bis(tert-butyl-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]azanide);tert-butyl-[2-(2-methyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-5-yl)propan-2-yl]azanide;carbanide;dichlorozirconium(2+);tris(titanium(4+))

tert-butyl-[dimethyl-(2-methyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-5-yl)silyl]azanide;bis(tert-butyl-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]azanide);tert-butyl-[2-(2-methyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-5-yl)propan-2-yl]azanide;carbanide;dichlorozirconium(2+);tris(titanium(4+)) (PubChem CID 162299333) has the molecular formula C99H194Cl2N8Si3Ti3Zr and a molecular weight of 1886.69 g/mol. Its IUPAC name is tert-butyl-[dimethyl-(2-methyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-5-yl)silyl]azanide;bis(tert-butyl-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]azanide);tert-butyl-[2-(2-methyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-5-yl)propan-2-yl]azanide;carbanide;dichlorozirconium(2+);tris(titanium(4+)).

Molecular Properties

Compound Nametert-butyl-[dimethyl-(2-methyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-5-yl)silyl]azanide;bis(tert-butyl-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]azanide);tert-butyl-[2-(2-methyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-5-yl)propan-2-yl]azanide;carbanide;dichlorozirconium(2+);tris(titanium(4+))
PubChem CID162299333
Molecular FormulaC99H194Cl2N8Si3Ti3Zr
Molecular Weight1886.69 g/mol
Exact Mass1883.16
IUPAC Nametert-butyl-[dimethyl-(2-methyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-5-yl)silyl]azanide;bis(tert-butyl-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]azanide);tert-butyl-[2-(2-methyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-5-yl)propan-2-yl]azanide;carbanide;dichlorozirconium(2+);tris(titanium(4+))
SMILESCC1CCC2C(C1)C1C3CCCCC3CC1N2C(C)(C)[N-]C(C)(C)C.CC1CCC2C(C1)C1C3CCCCC3CC1N2[Si](C)(C)[N-]C(C)(C)C.CC1CCC2C(C1)C1CC3CCCCC3C1N2[Si](C)(C)[N-]C(C)(C)C.CC1CCC2C(C1)C1CC3CCCCC3C1N2[Si](C)(C)[N-]C(C)(C)C.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti+4].[Ti+4].[Ti+4]
InChIInChI=1S/C23H41N2.3C22H41N2Si.10CH3.2ClH.3Ti.Zr/c1-15-11-12-19-18(13-15)21-17-10-8-7-9-16(17)14-20(21)25(19)23(5,6)24-22(2,3)4;2*1-15-11-12-20-18(13-15)19-14-16-9-7-8-10-17(16)21(19)24(20)25(5,6)23-22(2,3)4;1-15-11-12-19-18(13-15)21-17-10-8-7-9-16(17)14-20(21)24(19)25(5,6)23-22(2,3)4;;;;;;;;;;;;;;;;/h4*15-21H,7-14H2,1-6H3;10*1H3;2*1H;;;;/q14*-1;;;4*+4/p-2
InChIKeyAJHMAUPATFUJEY-UHFFFAOYSA-L
XLogP30.61
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms116
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001886.69
LogP ≤ 530.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-[dimethyl-(2-methyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-5-yl)silyl]azanide;bis(tert-butyl-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]azanide);tert-butyl-[2-(2-methyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-5-yl)propan-2-yl]azanide;carbanide;dichlorozirconium(2+);tris(titanium(4+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[dimethyl-(2-methyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-5-yl)silyl]azanide;bis(tert-butyl-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]azanide);tert-butyl-[2-(2-methyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-5-yl)propan-2-yl]azanide;carbanide;dichlorozirconium(2+);tris(titanium(4+))?
The IUPAC name of tert-butyl-[dimethyl-(2-methyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-5-yl)silyl]azanide;bis(tert-butyl-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]azanide);tert-butyl-[2-(2-methyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-5-yl)propan-2-yl]azanide;carbanide;dichlorozirconium(2+);tris(titanium(4+)) (CID 162299333) is tert-butyl-[dimethyl-(2-methyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-5-yl)silyl]azanide;bis(tert-butyl-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]azanide);tert-butyl-[2-(2-methyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-5-yl)propan-2-yl]azanide;carbanide;dichlorozirconium(2+);tris(titanium(4+)).
What is the SMILES notation for tert-butyl-[dimethyl-(2-methyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-5-yl)silyl]azanide;bis(tert-butyl-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]azanide);tert-butyl-[2-(2-methyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-5-yl)propan-2-yl]azanide;carbanide;dichlorozirconium(2+);tris(titanium(4+))?
The canonical SMILES for tert-butyl-[dimethyl-(2-methyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-5-yl)silyl]azanide;bis(tert-butyl-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]azanide);tert-butyl-[2-(2-methyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-5-yl)propan-2-yl]azanide;carbanide;dichlorozirconium(2+);tris(titanium(4+)) is CC1CCC2C(C1)C1C3CCCCC3CC1N2C(C)(C)[N-]C(C)(C)C.CC1CCC2C(C1)C1C3CCCCC3CC1N2[Si](C)(C)[N-]C(C)(C)C.CC1CCC2C(C1)C1CC3CCCCC3C1N2[Si](C)(C)[N-]C(C)(C)C.CC1CCC2C(C1)C1CC3CCCCC3C1N2[Si](C)(C)[N-]C(C)(C)C.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti+4].[Ti+4].[Ti+4].
What is the InChIKey of tert-butyl-[dimethyl-(2-methyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-5-yl)silyl]azanide;bis(tert-butyl-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]azanide);tert-butyl-[2-(2-methyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-5-yl)propan-2-yl]azanide;carbanide;dichlorozirconium(2+);tris(titanium(4+))?
The InChIKey is AJHMAUPATFUJEY-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H41N2.3C22H41N2Si.10CH3.2ClH.3Ti.Zr/c1-15-11-12-19-18(13-15)21-17-10-8-7-9-16(17)14-20(21)25(19)23(5,6)24-22(2,3)4;2*1-15-11-12-20-18(13-15)19-14-16-9-7-8-10-17(16)21(19)24(20)25(5,6)23-22(2,3)4;1-15-11-12-19-18(13-15)21-17-10-8-7-9-16(17)14-20(21)24(19)25(5,6)23-22(2,3)4;;;;;;;;;;;;;;;;/h4*15-21H,7-14H2,1-6H3;10*1H3;2*1H;;;;/q14*-1;;;4*+4/p-2.
What are the key properties of tert-butyl-[dimethyl-(2-methyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-5-yl)silyl]azanide;bis(tert-butyl-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]azanide);tert-butyl-[2-(2-methyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-5-yl)propan-2-yl]azanide;carbanide;dichlorozirconium(2+);tris(titanium(4+))?
tert-butyl-[dimethyl-(2-methyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-5-yl)silyl]azanide;bis(tert-butyl-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]azanide);tert-butyl-[2-(2-methyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-5-yl)propan-2-yl]azanide;carbanide;dichlorozirconium(2+);tris(titanium(4+)) has a molecular weight of 1886.69 g/mol, XLogP of 30.61, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[dimethyl-(2-methyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-5-yl)silyl]azanide;bis(tert-butyl-[dimethyl-(8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-5-yl)silyl]azanide);tert-butyl-[2-(2-methyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-5-yl)propan-2-yl]azanide;carbanide;dichlorozirconium(2+);tris(titanium(4+)) is sourced from PubChem (CID 162299333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).