[2,3,3a,7a-tetrahydro-1H-inden-1-yl-bis(4-methylphenyl)silyl]-tert-butylazanide;[2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]-tert-butylazanide;[2,3,3a,7a-tetrahydro-1H-inden-1-yl(diphenyl)silyl]-tert-butylazanide;tert-butyl-[2-(3-pyrrolidin-1-ylcyclopentyl)ethyl]azanide;carbanide;tetrakis(2-methanidyl-N,N-dimethylaniline);tetrakis(scandium(3+))

C122H179N9Sc4Si3 — CID 162279523

IUPAC[2,3,3a,7a-tetrahydro-1H-inden-1-yl-bis(4-methylphenyl)silyl]-tert-butylazanide;[2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]-tert-butylazanide;[2,3,3a,7a-tetrahydro-1H-inden-1-yl(diphenyl)silyl]-tert-butylazanide;tert-butyl-[2-(3-pyrrolidin-1-ylcyclopentyl)ethyl]azanide;carbanide;tetrakis(2-methanidyl-N,N-dimethylaniline);tetrakis(scandium(3+))
SMILESCC(C)(C)[N-]CCC1CCC(N2CCCC2)C1.CC(C)(C)[N-][Si](C)(C)C1CCC2C=CC=CC21.CC(C)(C)[N-][Si](c1ccccc1)(c1ccccc1)C1CCC2C=CC=CC21.Cc1ccc([Si]([N-]C(C)(C)C)(c2ccc(C)cc2)C2CCC3C=CC=CC32)cc1.[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[CH3-].[CH3-].[CH3-].[CH3-].[Sc+3].[Sc+3].[Sc+3].[Sc+3]
InChIInChI=1S/C27H34NSi.C25H30NSi.C15H29N2.C15H26NSi.4C9H12N.4CH3.4Sc/c1-20-10-15-23(16-11-20)29(28-27(3,4)5,24-17-12-21(2)13-18-24)26-19-14-22-8-6-7-9-25(22)26;1-25(2,3)26-27(21-13-6-4-7-14-21,22-15-8-5-9-16-22)24-19-18-20-12-10-11-17-23(20)24;1-15(2,3)16-9-8-13-6-7-14(12-13)17-10-4-5-11-17;1-15(2,3)16-17(4,5)14-11-10-12-8-6-7-9-13(12)14;4*1-8-6-4-5-7-9(8)10(2)3;;;;;;;;/h6-13,15-18,22,25-26H,14,19H2,1-5H3;4-17,20,23-24H,18-19H2,1-3H3;13-14H,4-12H2,1-3H3;6-9,12-14H,10-11H2,1-5H3;4*4-7H,1H2,2-3H3;4*1H3;;;;/q12*-1;4*+3
InChIKeyRZRCZNCSAYSQQP-UHFFFAOYSA-N
MW2035.92 g/mol
LogP29.73
Rot. Bonds18

About [2,3,3a,7a-tetrahydro-1H-inden-1-yl-bis(4-methylphenyl)silyl]-tert-butylazanide;[2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]-tert-butylazanide;[2,3,3a,7a-tetrahydro-1H-inden-1-yl(diphenyl)silyl]-tert-butylazanide;tert-butyl-[2-(3-pyrrolidin-1-ylcyclopentyl)ethyl]azanide;carbanide;tetrakis(2-methanidyl-N,N-dimethylaniline);tetrakis(scandium(3+))

[2,3,3a,7a-tetrahydro-1H-inden-1-yl-bis(4-methylphenyl)silyl]-tert-butylazanide;[2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]-tert-butylazanide;[2,3,3a,7a-tetrahydro-1H-inden-1-yl(diphenyl)silyl]-tert-butylazanide;tert-butyl-[2-(3-pyrrolidin-1-ylcyclopentyl)ethyl]azanide;carbanide;tetrakis(2-methanidyl-N,N-dimethylaniline);tetrakis(scandium(3+)) (PubChem CID 162279523) has the molecular formula C122H179N9Sc4Si3 and a molecular weight of 2035.92 g/mol. Its IUPAC name is [2,3,3a,7a-tetrahydro-1H-inden-1-yl-bis(4-methylphenyl)silyl]-tert-butylazanide;[2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]-tert-butylazanide;[2,3,3a,7a-tetrahydro-1H-inden-1-yl(diphenyl)silyl]-tert-butylazanide;tert-butyl-[2-(3-pyrrolidin-1-ylcyclopentyl)ethyl]azanide;carbanide;tetrakis(2-methanidyl-N,N-dimethylaniline);tetrakis(scandium(3+)).

Molecular Properties

Compound Name[2,3,3a,7a-tetrahydro-1H-inden-1-yl-bis(4-methylphenyl)silyl]-tert-butylazanide;[2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]-tert-butylazanide;[2,3,3a,7a-tetrahydro-1H-inden-1-yl(diphenyl)silyl]-tert-butylazanide;tert-butyl-[2-(3-pyrrolidin-1-ylcyclopentyl)ethyl]azanide;carbanide;tetrakis(2-methanidyl-N,N-dimethylaniline);tetrakis(scandium(3+))
PubChem CID162279523
Molecular FormulaC122H179N9Sc4Si3
Molecular Weight2035.92 g/mol
Exact Mass2034.18
IUPAC Name[2,3,3a,7a-tetrahydro-1H-inden-1-yl-bis(4-methylphenyl)silyl]-tert-butylazanide;[2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]-tert-butylazanide;[2,3,3a,7a-tetrahydro-1H-inden-1-yl(diphenyl)silyl]-tert-butylazanide;tert-butyl-[2-(3-pyrrolidin-1-ylcyclopentyl)ethyl]azanide;carbanide;tetrakis(2-methanidyl-N,N-dimethylaniline);tetrakis(scandium(3+))
SMILESCC(C)(C)[N-]CCC1CCC(N2CCCC2)C1.CC(C)(C)[N-][Si](C)(C)C1CCC2C=CC=CC21.CC(C)(C)[N-][Si](c1ccccc1)(c1ccccc1)C1CCC2C=CC=CC21.Cc1ccc([Si]([N-]C(C)(C)C)(c2ccc(C)cc2)C2CCC3C=CC=CC32)cc1.[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[CH3-].[CH3-].[CH3-].[CH3-].[Sc+3].[Sc+3].[Sc+3].[Sc+3]
InChIInChI=1S/C27H34NSi.C25H30NSi.C15H29N2.C15H26NSi.4C9H12N.4CH3.4Sc/c1-20-10-15-23(16-11-20)29(28-27(3,4)5,24-17-12-21(2)13-18-24)26-19-14-22-8-6-7-9-25(22)26;1-25(2,3)26-27(21-13-6-4-7-14-21,22-15-8-5-9-16-22)24-19-18-20-12-10-11-17-23(20)24;1-15(2,3)16-9-8-13-6-7-14(12-13)17-10-4-5-11-17;1-15(2,3)16-17(4,5)14-11-10-12-8-6-7-9-13(12)14;4*1-8-6-4-5-7-9(8)10(2)3;;;;;;;;/h6-13,15-18,22,25-26H,14,19H2,1-5H3;4-17,20,23-24H,18-19H2,1-3H3;13-14H,4-12H2,1-3H3;6-9,12-14H,10-11H2,1-5H3;4*4-7H,1H2,2-3H3;4*1H3;;;;/q12*-1;4*+3
InChIKeyRZRCZNCSAYSQQP-UHFFFAOYSA-N
XLogP29.73
TPSA72.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms138
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002035.92
LogP ≤ 529.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2,3,3a,7a-tetrahydro-1H-inden-1-yl-bis(4-methylphenyl)silyl]-tert-butylazanide;[2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]-tert-butylazanide;[2,3,3a,7a-tetrahydro-1H-inden-1-yl(diphenyl)silyl]-tert-butylazanide;tert-butyl-[2-(3-pyrrolidin-1-ylcyclopentyl)ethyl]azanide;carbanide;tetrakis(2-methanidyl-N,N-dimethylaniline);tetrakis(scandium(3+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2,3,3a,7a-tetrahydro-1H-inden-1-yl-bis(4-methylphenyl)silyl]-tert-butylazanide;[2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]-tert-butylazanide;[2,3,3a,7a-tetrahydro-1H-inden-1-yl(diphenyl)silyl]-tert-butylazanide;tert-butyl-[2-(3-pyrrolidin-1-ylcyclopentyl)ethyl]azanide;carbanide;tetrakis(2-methanidyl-N,N-dimethylaniline);tetrakis(scandium(3+))?
The IUPAC name of [2,3,3a,7a-tetrahydro-1H-inden-1-yl-bis(4-methylphenyl)silyl]-tert-butylazanide;[2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]-tert-butylazanide;[2,3,3a,7a-tetrahydro-1H-inden-1-yl(diphenyl)silyl]-tert-butylazanide;tert-butyl-[2-(3-pyrrolidin-1-ylcyclopentyl)ethyl]azanide;carbanide;tetrakis(2-methanidyl-N,N-dimethylaniline);tetrakis(scandium(3+)) (CID 162279523) is [2,3,3a,7a-tetrahydro-1H-inden-1-yl-bis(4-methylphenyl)silyl]-tert-butylazanide;[2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]-tert-butylazanide;[2,3,3a,7a-tetrahydro-1H-inden-1-yl(diphenyl)silyl]-tert-butylazanide;tert-butyl-[2-(3-pyrrolidin-1-ylcyclopentyl)ethyl]azanide;carbanide;tetrakis(2-methanidyl-N,N-dimethylaniline);tetrakis(scandium(3+)).
What is the SMILES notation for [2,3,3a,7a-tetrahydro-1H-inden-1-yl-bis(4-methylphenyl)silyl]-tert-butylazanide;[2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]-tert-butylazanide;[2,3,3a,7a-tetrahydro-1H-inden-1-yl(diphenyl)silyl]-tert-butylazanide;tert-butyl-[2-(3-pyrrolidin-1-ylcyclopentyl)ethyl]azanide;carbanide;tetrakis(2-methanidyl-N,N-dimethylaniline);tetrakis(scandium(3+))?
The canonical SMILES for [2,3,3a,7a-tetrahydro-1H-inden-1-yl-bis(4-methylphenyl)silyl]-tert-butylazanide;[2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]-tert-butylazanide;[2,3,3a,7a-tetrahydro-1H-inden-1-yl(diphenyl)silyl]-tert-butylazanide;tert-butyl-[2-(3-pyrrolidin-1-ylcyclopentyl)ethyl]azanide;carbanide;tetrakis(2-methanidyl-N,N-dimethylaniline);tetrakis(scandium(3+)) is CC(C)(C)[N-]CCC1CCC(N2CCCC2)C1.CC(C)(C)[N-][Si](C)(C)C1CCC2C=CC=CC21.CC(C)(C)[N-][Si](c1ccccc1)(c1ccccc1)C1CCC2C=CC=CC21.Cc1ccc([Si]([N-]C(C)(C)C)(c2ccc(C)cc2)C2CCC3C=CC=CC32)cc1.[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[CH2-]c1ccccc1N(C)C.[CH3-].[CH3-].[CH3-].[CH3-].[Sc+3].[Sc+3].[Sc+3].[Sc+3].
What is the InChIKey of [2,3,3a,7a-tetrahydro-1H-inden-1-yl-bis(4-methylphenyl)silyl]-tert-butylazanide;[2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]-tert-butylazanide;[2,3,3a,7a-tetrahydro-1H-inden-1-yl(diphenyl)silyl]-tert-butylazanide;tert-butyl-[2-(3-pyrrolidin-1-ylcyclopentyl)ethyl]azanide;carbanide;tetrakis(2-methanidyl-N,N-dimethylaniline);tetrakis(scandium(3+))?
The InChIKey is RZRCZNCSAYSQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34NSi.C25H30NSi.C15H29N2.C15H26NSi.4C9H12N.4CH3.4Sc/c1-20-10-15-23(16-11-20)29(28-27(3,4)5,24-17-12-21(2)13-18-24)26-19-14-22-8-6-7-9-25(22)26;1-25(2,3)26-27(21-13-6-4-7-14-21,22-15-8-5-9-16-22)24-19-18-20-12-10-11-17-23(20)24;1-15(2,3)16-9-8-13-6-7-14(12-13)17-10-4-5-11-17;1-15(2,3)16-17(4,5)14-11-10-12-8-6-7-9-13(12)14;4*1-8-6-4-5-7-9(8)10(2)3;;;;;;;;/h6-13,15-18,22,25-26H,14,19H2,1-5H3;4-17,20,23-24H,18-19H2,1-3H3;13-14H,4-12H2,1-3H3;6-9,12-14H,10-11H2,1-5H3;4*4-7H,1H2,2-3H3;4*1H3;;;;/q12*-1;4*+3.
What are the key properties of [2,3,3a,7a-tetrahydro-1H-inden-1-yl-bis(4-methylphenyl)silyl]-tert-butylazanide;[2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]-tert-butylazanide;[2,3,3a,7a-tetrahydro-1H-inden-1-yl(diphenyl)silyl]-tert-butylazanide;tert-butyl-[2-(3-pyrrolidin-1-ylcyclopentyl)ethyl]azanide;carbanide;tetrakis(2-methanidyl-N,N-dimethylaniline);tetrakis(scandium(3+))?
[2,3,3a,7a-tetrahydro-1H-inden-1-yl-bis(4-methylphenyl)silyl]-tert-butylazanide;[2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]-tert-butylazanide;[2,3,3a,7a-tetrahydro-1H-inden-1-yl(diphenyl)silyl]-tert-butylazanide;tert-butyl-[2-(3-pyrrolidin-1-ylcyclopentyl)ethyl]azanide;carbanide;tetrakis(2-methanidyl-N,N-dimethylaniline);tetrakis(scandium(3+)) has a molecular weight of 2035.92 g/mol, XLogP of 29.73, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,3a,7a-tetrahydro-1H-inden-1-yl-bis(4-methylphenyl)silyl]-tert-butylazanide;[2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)silyl]-tert-butylazanide;[2,3,3a,7a-tetrahydro-1H-inden-1-yl(diphenyl)silyl]-tert-butylazanide;tert-butyl-[2-(3-pyrrolidin-1-ylcyclopentyl)ethyl]azanide;carbanide;tetrakis(2-methanidyl-N,N-dimethylaniline);tetrakis(scandium(3+)) is sourced from PubChem (CID 162279523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).