tris(tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide);carbanide;(2-methanidylphenyl)-dimethylphosphanium;(2-methanidylphenyl)-diphenylphosphanium;(2-methanidylphenyl)-methyl-phenylphosphanium;tris(scandium)

C102H153N6P3Sc3Si3-6 — CID 162279549

IUPACtris(tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide);carbanide;(2-methanidylphenyl)-dimethylphosphanium;(2-methanidylphenyl)-diphenylphosphanium;(2-methanidylphenyl)-methyl-phenylphosphanium;tris(scandium)
SMILESCC(C)(C)[N-][Si](C)(C)C1CC(N2CCCC2)C2C=CC=CC21.CC(C)(C)[N-][Si](C)(C)C1CC(N2CCCC2)C2C=CC=CC21.CC(C)(C)[N-][Si](C)(C)C1CC(N2CCCC2)C2C=CC=CC21.[CH2-]c1ccccc1[PH+](C)C.[CH2-]c1ccccc1[PH+](C)c1ccccc1.[CH2-]c1ccccc1[PH+](c1ccccc1)c1ccccc1.[CH3-].[CH3-].[CH3-].[Sc].[Sc].[Sc]
InChIInChI=1S/3C19H33N2Si.C19H16P.C14H14P.C9H12P.3CH3.3Sc/c3*1-19(2,3)20-22(4,5)18-14-17(21-12-8-9-13-21)15-10-6-7-11-16(15)18;1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18;1-12-8-6-7-11-14(12)15(2)13-9-4-3-5-10-13;1-8-6-4-5-7-9(8)10(2)3;;;;;;/h3*6-7,10-11,15-18H,8-9,12-14H2,1-5H3;2-15H,1H2;3-11H,1H2,2H3;4-7H,1H2,2-3H3;3*1H3;;;/q9*-1;;;/p+3
InChIKeyJUGAQSAELHQVGL-UHFFFAOYSA-Q
MW1775.44 g/mol
LogP24.22
Rot. Bonds15

About tris(tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide);carbanide;(2-methanidylphenyl)-dimethylphosphanium;(2-methanidylphenyl)-diphenylphosphanium;(2-methanidylphenyl)-methyl-phenylphosphanium;tris(scandium)

tris(tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide);carbanide;(2-methanidylphenyl)-dimethylphosphanium;(2-methanidylphenyl)-diphenylphosphanium;(2-methanidylphenyl)-methyl-phenylphosphanium;tris(scandium) (PubChem CID 162279549) has the molecular formula C102H153N6P3Sc3Si3-6 and a molecular weight of 1775.44 g/mol. Its IUPAC name is tris(tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide);carbanide;(2-methanidylphenyl)-dimethylphosphanium;(2-methanidylphenyl)-diphenylphosphanium;(2-methanidylphenyl)-methyl-phenylphosphanium;tris(scandium).

Molecular Properties

Compound Nametris(tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide);carbanide;(2-methanidylphenyl)-dimethylphosphanium;(2-methanidylphenyl)-diphenylphosphanium;(2-methanidylphenyl)-methyl-phenylphosphanium;tris(scandium)
PubChem CID162279549
Molecular FormulaC102H153N6P3Sc3Si3-6
Molecular Weight1775.44 g/mol
Exact Mass1773.94
IUPAC Nametris(tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide);carbanide;(2-methanidylphenyl)-dimethylphosphanium;(2-methanidylphenyl)-diphenylphosphanium;(2-methanidylphenyl)-methyl-phenylphosphanium;tris(scandium)
SMILESCC(C)(C)[N-][Si](C)(C)C1CC(N2CCCC2)C2C=CC=CC21.CC(C)(C)[N-][Si](C)(C)C1CC(N2CCCC2)C2C=CC=CC21.CC(C)(C)[N-][Si](C)(C)C1CC(N2CCCC2)C2C=CC=CC21.[CH2-]c1ccccc1[PH+](C)C.[CH2-]c1ccccc1[PH+](C)c1ccccc1.[CH2-]c1ccccc1[PH+](c1ccccc1)c1ccccc1.[CH3-].[CH3-].[CH3-].[Sc].[Sc].[Sc]
InChIInChI=1S/3C19H33N2Si.C19H16P.C14H14P.C9H12P.3CH3.3Sc/c3*1-19(2,3)20-22(4,5)18-14-17(21-12-8-9-13-21)15-10-6-7-11-16(15)18;1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18;1-12-8-6-7-11-14(12)15(2)13-9-4-3-5-10-13;1-8-6-4-5-7-9(8)10(2)3;;;;;;/h3*6-7,10-11,15-18H,8-9,12-14H2,1-5H3;2-15H,1H2;3-11H,1H2,2H3;4-7H,1H2,2-3H3;3*1H3;;;/q9*-1;;;/p+3
InChIKeyJUGAQSAELHQVGL-UHFFFAOYSA-Q
XLogP24.22
TPSA52.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001775.44
LogP ≤ 524.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide);carbanide;(2-methanidylphenyl)-dimethylphosphanium;(2-methanidylphenyl)-diphenylphosphanium;(2-methanidylphenyl)-methyl-phenylphosphanium;tris(scandium)?
The IUPAC name of tris(tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide);carbanide;(2-methanidylphenyl)-dimethylphosphanium;(2-methanidylphenyl)-diphenylphosphanium;(2-methanidylphenyl)-methyl-phenylphosphanium;tris(scandium) (CID 162279549) is tris(tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide);carbanide;(2-methanidylphenyl)-dimethylphosphanium;(2-methanidylphenyl)-diphenylphosphanium;(2-methanidylphenyl)-methyl-phenylphosphanium;tris(scandium).
What is the SMILES notation for tris(tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide);carbanide;(2-methanidylphenyl)-dimethylphosphanium;(2-methanidylphenyl)-diphenylphosphanium;(2-methanidylphenyl)-methyl-phenylphosphanium;tris(scandium)?
The canonical SMILES for tris(tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide);carbanide;(2-methanidylphenyl)-dimethylphosphanium;(2-methanidylphenyl)-diphenylphosphanium;(2-methanidylphenyl)-methyl-phenylphosphanium;tris(scandium) is CC(C)(C)[N-][Si](C)(C)C1CC(N2CCCC2)C2C=CC=CC21.CC(C)(C)[N-][Si](C)(C)C1CC(N2CCCC2)C2C=CC=CC21.CC(C)(C)[N-][Si](C)(C)C1CC(N2CCCC2)C2C=CC=CC21.[CH2-]c1ccccc1[PH+](C)C.[CH2-]c1ccccc1[PH+](C)c1ccccc1.[CH2-]c1ccccc1[PH+](c1ccccc1)c1ccccc1.[CH3-].[CH3-].[CH3-].[Sc].[Sc].[Sc].
What is the InChIKey of tris(tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide);carbanide;(2-methanidylphenyl)-dimethylphosphanium;(2-methanidylphenyl)-diphenylphosphanium;(2-methanidylphenyl)-methyl-phenylphosphanium;tris(scandium)?
The InChIKey is JUGAQSAELHQVGL-UHFFFAOYSA-Q. The full InChI is InChI=1S/3C19H33N2Si.C19H16P.C14H14P.C9H12P.3CH3.3Sc/c3*1-19(2,3)20-22(4,5)18-14-17(21-12-8-9-13-21)15-10-6-7-11-16(15)18;1-16-10-8-9-15-19(16)20(17-11-4-2-5-12-17)18-13-6-3-7-14-18;1-12-8-6-7-11-14(12)15(2)13-9-4-3-5-10-13;1-8-6-4-5-7-9(8)10(2)3;;;;;;/h3*6-7,10-11,15-18H,8-9,12-14H2,1-5H3;2-15H,1H2;3-11H,1H2,2H3;4-7H,1H2,2-3H3;3*1H3;;;/q9*-1;;;/p+3.
What are the key properties of tris(tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide);carbanide;(2-methanidylphenyl)-dimethylphosphanium;(2-methanidylphenyl)-diphenylphosphanium;(2-methanidylphenyl)-methyl-phenylphosphanium;tris(scandium)?
tris(tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide);carbanide;(2-methanidylphenyl)-dimethylphosphanium;(2-methanidylphenyl)-diphenylphosphanium;(2-methanidylphenyl)-methyl-phenylphosphanium;tris(scandium) has a molecular weight of 1775.44 g/mol, XLogP of 24.22, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(tert-butyl-[dimethyl-(3-pyrrolidin-1-yl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silyl]azanide);carbanide;(2-methanidylphenyl)-dimethylphosphanium;(2-methanidylphenyl)-diphenylphosphanium;(2-methanidylphenyl)-methyl-phenylphosphanium;tris(scandium) is sourced from PubChem (CID 162279549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).