tert-butyl-[[2-[[3-[tert-butylazanidyl(dimethyl)silyl]-1-pyrrolidin-1-yl-1H-inden-2-yl]methyl]-3-pyrrolidin-1-yl-3H-inden-1-yl]-dimethylsilyl]azanide;carbanide;bis(titanium(4+))

C45H76N4Si2Ti2 — CID 20682101

IUPACtert-butyl-[[2-[[3-[tert-butylazanidyl(dimethyl)silyl]-1-pyrrolidin-1-yl-1H-inden-2-yl]methyl]-3-pyrrolidin-1-yl-3H-inden-1-yl]-dimethylsilyl]azanide;carbanide;bis(titanium(4+))
SMILESCC(C)(C)[N-][Si](C)(C)C1=C(CC2=C([Si](C)(C)[N-]C(C)(C)C)c3ccccc3C2N2CCCC2)C(N2CCCC2)c2ccccc21.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti+4].[Ti+4]
InChIInChI=1S/C39H58N4Si2.6CH3.2Ti/c1-38(2,3)40-44(7,8)36-30-21-13-11-19-28(30)34(42-23-15-16-24-42)32(36)27-33-35(43-25-17-18-26-43)29-20-12-14-22-31(29)37(33)45(9,10)41-39(4,5)6;;;;;;;;/h11-14,19-22,34-35H,15-18,23-27H2,1-10H3;6*1H3;;/q-2;6*-1;2*+4
InChIKeyASESWZXTBUJBRB-UHFFFAOYSA-N
MW825.04 g/mol
LogP13.11
Rot. Bonds8

About tert-butyl-[[2-[[3-[tert-butylazanidyl(dimethyl)silyl]-1-pyrrolidin-1-yl-1H-inden-2-yl]methyl]-3-pyrrolidin-1-yl-3H-inden-1-yl]-dimethylsilyl]azanide;carbanide;bis(titanium(4+))

tert-butyl-[[2-[[3-[tert-butylazanidyl(dimethyl)silyl]-1-pyrrolidin-1-yl-1H-inden-2-yl]methyl]-3-pyrrolidin-1-yl-3H-inden-1-yl]-dimethylsilyl]azanide;carbanide;bis(titanium(4+)) (PubChem CID 20682101) has the molecular formula C45H76N4Si2Ti2 and a molecular weight of 825.04 g/mol. Its IUPAC name is tert-butyl-[[2-[[3-[tert-butylazanidyl(dimethyl)silyl]-1-pyrrolidin-1-yl-1H-inden-2-yl]methyl]-3-pyrrolidin-1-yl-3H-inden-1-yl]-dimethylsilyl]azanide;carbanide;bis(titanium(4+)).

Molecular Properties

Compound Nametert-butyl-[[2-[[3-[tert-butylazanidyl(dimethyl)silyl]-1-pyrrolidin-1-yl-1H-inden-2-yl]methyl]-3-pyrrolidin-1-yl-3H-inden-1-yl]-dimethylsilyl]azanide;carbanide;bis(titanium(4+))
PubChem CID20682101
Molecular FormulaC45H76N4Si2Ti2
Molecular Weight825.04 g/mol
Exact Mass824.46
IUPAC Nametert-butyl-[[2-[[3-[tert-butylazanidyl(dimethyl)silyl]-1-pyrrolidin-1-yl-1H-inden-2-yl]methyl]-3-pyrrolidin-1-yl-3H-inden-1-yl]-dimethylsilyl]azanide;carbanide;bis(titanium(4+))
SMILESCC(C)(C)[N-][Si](C)(C)C1=C(CC2=C([Si](C)(C)[N-]C(C)(C)C)c3ccccc3C2N2CCCC2)C(N2CCCC2)c2ccccc21.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti+4].[Ti+4]
InChIInChI=1S/C39H58N4Si2.6CH3.2Ti/c1-38(2,3)40-44(7,8)36-30-21-13-11-19-28(30)34(42-23-15-16-24-42)32(36)27-33-35(43-25-17-18-26-43)29-20-12-14-22-31(29)37(33)45(9,10)41-39(4,5)6;;;;;;;;/h11-14,19-22,34-35H,15-18,23-27H2,1-10H3;6*1H3;;/q-2;6*-1;2*+4
InChIKeyASESWZXTBUJBRB-UHFFFAOYSA-N
XLogP13.11
TPSA34.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.04
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-[[2-[[3-[tert-butylazanidyl(dimethyl)silyl]-1-pyrrolidin-1-yl-1H-inden-2-yl]methyl]-3-pyrrolidin-1-yl-3H-inden-1-yl]-dimethylsilyl]azanide;carbanide;bis(titanium(4+)) with MolForge

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Related Compounds

N-[[(tert-butylamino)-methyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]methyl-methyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]-2-methylpropan-2-amine
CID 20682166
tert-butyl-[methyl-phenyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide;carbanide;titanium(4+)
CID 154624728
1-(9H-fluoren-9-yl)-4-methylpiperazine;dihydrochloride
CID 24842181
N,N'-bis[dimethyl-(3-pyrrolidin-1-yl-3H-inden-1-yl)silyl]methanediamine
CID 20682158
1-(9H-fluoren-9-yl)-4-(pyridin-4-ylmethyl)piperazine
CID 19933871
2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-N-methylacetamide
CID 8774574
(2Z,3S)-2-benzylidene-3-piperidin-1-yl-3H-inden-1-one
CID 96559884
tert-butyl 4-(2,3-diethyl-1H-inden-1-yl)piperazine-1-carboxylate
CID 134949829
(1E)-2-methyl-1-(3-piperidin-1-yl-3H-1-benzofuran-2-ylidene)butan-2-ol
CID 5293868
(1E,2R)-2-methyl-1-[(3S)-3-piperidin-1-yl-3H-1-benzofuran-2-ylidene]butan-2-ol
CID 7310794
(1E,2R)-2-methyl-1-[(3R)-3-piperidin-1-yl-3H-1-benzofuran-2-ylidene]butan-2-ol
CID 7310791
1-[3-[[amino(dimethyl)silyl]methyl]-3H-inden-1-yl]pyrrolidine
CID 67613366

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[2-[[3-[tert-butylazanidyl(dimethyl)silyl]-1-pyrrolidin-1-yl-1H-inden-2-yl]methyl]-3-pyrrolidin-1-yl-3H-inden-1-yl]-dimethylsilyl]azanide;carbanide;bis(titanium(4+))?
The IUPAC name of tert-butyl-[[2-[[3-[tert-butylazanidyl(dimethyl)silyl]-1-pyrrolidin-1-yl-1H-inden-2-yl]methyl]-3-pyrrolidin-1-yl-3H-inden-1-yl]-dimethylsilyl]azanide;carbanide;bis(titanium(4+)) (CID 20682101) is tert-butyl-[[2-[[3-[tert-butylazanidyl(dimethyl)silyl]-1-pyrrolidin-1-yl-1H-inden-2-yl]methyl]-3-pyrrolidin-1-yl-3H-inden-1-yl]-dimethylsilyl]azanide;carbanide;bis(titanium(4+)).
What is the SMILES notation for tert-butyl-[[2-[[3-[tert-butylazanidyl(dimethyl)silyl]-1-pyrrolidin-1-yl-1H-inden-2-yl]methyl]-3-pyrrolidin-1-yl-3H-inden-1-yl]-dimethylsilyl]azanide;carbanide;bis(titanium(4+))?
The canonical SMILES for tert-butyl-[[2-[[3-[tert-butylazanidyl(dimethyl)silyl]-1-pyrrolidin-1-yl-1H-inden-2-yl]methyl]-3-pyrrolidin-1-yl-3H-inden-1-yl]-dimethylsilyl]azanide;carbanide;bis(titanium(4+)) is CC(C)(C)[N-][Si](C)(C)C1=C(CC2=C([Si](C)(C)[N-]C(C)(C)C)c3ccccc3C2N2CCCC2)C(N2CCCC2)c2ccccc21.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti+4].[Ti+4].
What is the InChIKey of tert-butyl-[[2-[[3-[tert-butylazanidyl(dimethyl)silyl]-1-pyrrolidin-1-yl-1H-inden-2-yl]methyl]-3-pyrrolidin-1-yl-3H-inden-1-yl]-dimethylsilyl]azanide;carbanide;bis(titanium(4+))?
The InChIKey is ASESWZXTBUJBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H58N4Si2.6CH3.2Ti/c1-38(2,3)40-44(7,8)36-30-21-13-11-19-28(30)34(42-23-15-16-24-42)32(36)27-33-35(43-25-17-18-26-43)29-20-12-14-22-31(29)37(33)45(9,10)41-39(4,5)6;;;;;;;;/h11-14,19-22,34-35H,15-18,23-27H2,1-10H3;6*1H3;;/q-2;6*-1;2*+4.
What are the key properties of tert-butyl-[[2-[[3-[tert-butylazanidyl(dimethyl)silyl]-1-pyrrolidin-1-yl-1H-inden-2-yl]methyl]-3-pyrrolidin-1-yl-3H-inden-1-yl]-dimethylsilyl]azanide;carbanide;bis(titanium(4+))?
tert-butyl-[[2-[[3-[tert-butylazanidyl(dimethyl)silyl]-1-pyrrolidin-1-yl-1H-inden-2-yl]methyl]-3-pyrrolidin-1-yl-3H-inden-1-yl]-dimethylsilyl]azanide;carbanide;bis(titanium(4+)) has a molecular weight of 825.04 g/mol, XLogP of 13.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[2-[[3-[tert-butylazanidyl(dimethyl)silyl]-1-pyrrolidin-1-yl-1H-inden-2-yl]methyl]-3-pyrrolidin-1-yl-3H-inden-1-yl]-dimethylsilyl]azanide;carbanide;bis(titanium(4+)) is sourced from PubChem (CID 20682101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).