carbanide;[cyclopentyl-(8,10-dimethyl-5-propan-2-yl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-methylsilyl]-(2-methylbutan-2-yl)azanide;titanium(4+)

C34H66N2SiTi — CID 58594397

IUPACcarbanide;[cyclopentyl-(8,10-dimethyl-5-propan-2-yl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-methylsilyl]-(2-methylbutan-2-yl)azanide;titanium(4+)
SMILESCCC(C)(C)[N-][Si](C)(C1CCCC1)C1C2CC(C)CC(C)C2C2C3CCCCC3N(C(C)C)C21.[CH3-].[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/C31H57N2Si.3CH3.Ti/c1-9-31(6,7)32-34(8,23-14-10-11-15-23)30-25-19-21(4)18-22(5)27(25)28-24-16-12-13-17-26(24)33(20(2)3)29(28)30;;;;/h20-30H,9-19H2,1-8H3;3*1H3;/q4*-1;+4
InChIKeyUEHDKVCARSZMOU-UHFFFAOYSA-N
MW578.87 g/mol
LogP10.37
Rot. Bonds6

About carbanide;[cyclopentyl-(8,10-dimethyl-5-propan-2-yl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-methylsilyl]-(2-methylbutan-2-yl)azanide;titanium(4+)

carbanide;[cyclopentyl-(8,10-dimethyl-5-propan-2-yl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-methylsilyl]-(2-methylbutan-2-yl)azanide;titanium(4+) (PubChem CID 58594397) has the molecular formula C34H66N2SiTi and a molecular weight of 578.87 g/mol. Its IUPAC name is carbanide;[cyclopentyl-(8,10-dimethyl-5-propan-2-yl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-methylsilyl]-(2-methylbutan-2-yl)azanide;titanium(4+).

Molecular Properties

Compound Namecarbanide;[cyclopentyl-(8,10-dimethyl-5-propan-2-yl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-methylsilyl]-(2-methylbutan-2-yl)azanide;titanium(4+)
PubChem CID58594397
Molecular FormulaC34H66N2SiTi
Molecular Weight578.87 g/mol
Exact Mass578.45
IUPAC Namecarbanide;[cyclopentyl-(8,10-dimethyl-5-propan-2-yl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-methylsilyl]-(2-methylbutan-2-yl)azanide;titanium(4+)
SMILESCCC(C)(C)[N-][Si](C)(C1CCCC1)C1C2CC(C)CC(C)C2C2C3CCCCC3N(C(C)C)C21.[CH3-].[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/C31H57N2Si.3CH3.Ti/c1-9-31(6,7)32-34(8,23-14-10-11-15-23)30-25-19-21(4)18-22(5)27(25)28-24-16-12-13-17-26(24)33(20(2)3)29(28)30;;;;/h20-30H,9-19H2,1-8H3;3*1H3;/q4*-1;+4
InChIKeyUEHDKVCARSZMOU-UHFFFAOYSA-N
XLogP10.37
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.87
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze carbanide;[cyclopentyl-(8,10-dimethyl-5-propan-2-yl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-methylsilyl]-(2-methylbutan-2-yl)azanide;titanium(4+) with MolForge

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Related Compounds

cyclopentyl-(2-fluoro-5-methyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethylsilane
CID 59164904
cyclopentyl-[5-(4-fluorocyclohexyl)-8-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl]-dimethylsilane
CID 59164906
10-(1-cyclopentylsilolan-1-yl)-5,8-dimethyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indole
CID 57608961
dimethyl-(5-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)-(2,3,4,5-tetramethylcyclopentyl)silane
CID 57972468
tert-butyl-[dimethyl-(5-methyl-2,3,4,4a,4b,5a,6,7,8,9,9a,9b,10,10a-tetradecahydro-1H-indeno[1,2-b]indol-10-yl)silyl]azanide;dichlorotitanium;ethane
CID 58582252
tert-butyl-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethylsilyl]azanide;carbanide;bis(dimethylazanide);titanium(4+)
CID 58594395
N-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethylsilyl]-2-methylpropan-2-amine
CID 58594396
tert-butyl-[(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethylsilyl]azanide;carbanide;zirconium(4+)
CID 58594399
cyclopentyl-(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
CID 58792412
carbanide;dichlorozirconium(2+);(2,5-dimethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethyl-(2-methylcyclopentyl)silane
CID 58885691
carbanide;dichlorozirconium(2+);(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)-dimethyl-(2-methylcyclopentyl)silane
CID 58885693
trimethyl-(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)silane
CID 59048623

Frequently Asked Questions

What is the IUPAC name of carbanide;[cyclopentyl-(8,10-dimethyl-5-propan-2-yl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-methylsilyl]-(2-methylbutan-2-yl)azanide;titanium(4+)?
The IUPAC name of carbanide;[cyclopentyl-(8,10-dimethyl-5-propan-2-yl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-methylsilyl]-(2-methylbutan-2-yl)azanide;titanium(4+) (CID 58594397) is carbanide;[cyclopentyl-(8,10-dimethyl-5-propan-2-yl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-methylsilyl]-(2-methylbutan-2-yl)azanide;titanium(4+).
What is the SMILES notation for carbanide;[cyclopentyl-(8,10-dimethyl-5-propan-2-yl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-methylsilyl]-(2-methylbutan-2-yl)azanide;titanium(4+)?
The canonical SMILES for carbanide;[cyclopentyl-(8,10-dimethyl-5-propan-2-yl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-methylsilyl]-(2-methylbutan-2-yl)azanide;titanium(4+) is CCC(C)(C)[N-][Si](C)(C1CCCC1)C1C2CC(C)CC(C)C2C2C3CCCCC3N(C(C)C)C21.[CH3-].[CH3-].[CH3-].[Ti+4].
What is the InChIKey of carbanide;[cyclopentyl-(8,10-dimethyl-5-propan-2-yl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-methylsilyl]-(2-methylbutan-2-yl)azanide;titanium(4+)?
The InChIKey is UEHDKVCARSZMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H57N2Si.3CH3.Ti/c1-9-31(6,7)32-34(8,23-14-10-11-15-23)30-25-19-21(4)18-22(5)27(25)28-24-16-12-13-17-26(24)33(20(2)3)29(28)30;;;;/h20-30H,9-19H2,1-8H3;3*1H3;/q4*-1;+4.
What are the key properties of carbanide;[cyclopentyl-(8,10-dimethyl-5-propan-2-yl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-methylsilyl]-(2-methylbutan-2-yl)azanide;titanium(4+)?
carbanide;[cyclopentyl-(8,10-dimethyl-5-propan-2-yl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-methylsilyl]-(2-methylbutan-2-yl)azanide;titanium(4+) has a molecular weight of 578.87 g/mol, XLogP of 10.37, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;[cyclopentyl-(8,10-dimethyl-5-propan-2-yl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-methylsilyl]-(2-methylbutan-2-yl)azanide;titanium(4+) is sourced from PubChem (CID 58594397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).