tert-butyl-[[3-(1,3-dihydroisoindol-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]azanide;carbanide;titanium(4+)

C26H42N2SiTi — CID 59038577

IUPACtert-butyl-[[3-(1,3-dihydroisoindol-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]azanide;carbanide;titanium(4+)
SMILESCC(C)(C)[N-][Si](C)(C)C1CC(N2Cc3ccccc3C2)C2C=CC=CC21.[CH3-].[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/C23H33N2Si.3CH3.Ti/c1-23(2,3)24-26(4,5)22-14-21(19-12-8-9-13-20(19)22)25-15-17-10-6-7-11-18(17)16-25;;;;/h6-13,19-22H,14-16H2,1-5H3;3*1H3;/q4*-1;+4
InChIKeyGLTCDBMYXNEVNV-UHFFFAOYSA-N
MW458.59 g/mol
LogP7.23
Rot. Bonds3

About tert-butyl-[[3-(1,3-dihydroisoindol-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]azanide;carbanide;titanium(4+)

tert-butyl-[[3-(1,3-dihydroisoindol-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]azanide;carbanide;titanium(4+) (PubChem CID 59038577) has the molecular formula C26H42N2SiTi and a molecular weight of 458.59 g/mol. Its IUPAC name is tert-butyl-[[3-(1,3-dihydroisoindol-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]azanide;carbanide;titanium(4+).

Molecular Properties

Compound Nametert-butyl-[[3-(1,3-dihydroisoindol-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]azanide;carbanide;titanium(4+)
PubChem CID59038577
Molecular FormulaC26H42N2SiTi
Molecular Weight458.59 g/mol
Exact Mass458.26
IUPAC Nametert-butyl-[[3-(1,3-dihydroisoindol-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]azanide;carbanide;titanium(4+)
SMILESCC(C)(C)[N-][Si](C)(C)C1CC(N2Cc3ccccc3C2)C2C=CC=CC21.[CH3-].[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/C23H33N2Si.3CH3.Ti/c1-23(2,3)24-26(4,5)22-14-21(19-12-8-9-13-20(19)22)25-15-17-10-6-7-11-18(17)16-25;;;;/h6-13,19-22H,14-16H2,1-5H3;3*1H3;/q4*-1;+4
InChIKeyGLTCDBMYXNEVNV-UHFFFAOYSA-N
XLogP7.23
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.59
LogP ≤ 57.23
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[3-(1,3-dihydroisoindol-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]azanide;carbanide;titanium(4+)?
The IUPAC name of tert-butyl-[[3-(1,3-dihydroisoindol-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]azanide;carbanide;titanium(4+) (CID 59038577) is tert-butyl-[[3-(1,3-dihydroisoindol-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]azanide;carbanide;titanium(4+).
What is the SMILES notation for tert-butyl-[[3-(1,3-dihydroisoindol-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]azanide;carbanide;titanium(4+)?
The canonical SMILES for tert-butyl-[[3-(1,3-dihydroisoindol-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]azanide;carbanide;titanium(4+) is CC(C)(C)[N-][Si](C)(C)C1CC(N2Cc3ccccc3C2)C2C=CC=CC21.[CH3-].[CH3-].[CH3-].[Ti+4].
What is the InChIKey of tert-butyl-[[3-(1,3-dihydroisoindol-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]azanide;carbanide;titanium(4+)?
The InChIKey is GLTCDBMYXNEVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N2Si.3CH3.Ti/c1-23(2,3)24-26(4,5)22-14-21(19-12-8-9-13-20(19)22)25-15-17-10-6-7-11-18(17)16-25;;;;/h6-13,19-22H,14-16H2,1-5H3;3*1H3;/q4*-1;+4.
What are the key properties of tert-butyl-[[3-(1,3-dihydroisoindol-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]azanide;carbanide;titanium(4+)?
tert-butyl-[[3-(1,3-dihydroisoindol-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]azanide;carbanide;titanium(4+) has a molecular weight of 458.59 g/mol, XLogP of 7.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[3-(1,3-dihydroisoindol-2-yl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-dimethylsilyl]azanide;carbanide;titanium(4+) is sourced from PubChem (CID 59038577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).