[2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-bis(4-methylphenyl)silyl]-tert-butylazanide;bis([2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl(dimethyl)silyl]-tert-butylazanide);[4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl(diphenyl)silyl]-tert-butylazanide;carbanide;tetrakis(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+));yttrium(3+)

C138H200N8Sc3Si4Y — CID 162279539

IUPAC[2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-bis(4-methylphenyl)silyl]-tert-butylazanide;bis([2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl(dimethyl)silyl]-tert-butylazanide);[4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl(diphenyl)silyl]-tert-butylazanide;carbanide;tetrakis(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+));yttrium(3+)
SMILESCC(C)(C)[N-][Si](C)(C)C1C2C=CC=CC2C2CCCCC21.CC(C)(C)[N-][Si](C)(C)C1C2C=CC=CC2C2CCCCC21.CC(C)(C)[N-][Si](c1ccccc1)(c1ccccc1)C1C2C=CC=CC2C2C=CC=CC21.Cc1ccc([Si]([N-]C(C)(C)C)(c2ccc(C)cc2)C2C3CCCCC3C3CCCCC32)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].[Y+3]
InChIInChI=1S/C31H44NSi.C29H32NSi.2C19H32NSi.4C9H12N.4CH3.3Sc.Y/c1-22-14-18-24(19-15-22)33(32-31(3,4)5,25-20-16-23(2)17-21-25)30-28-12-8-6-10-26(28)27-11-7-9-13-29(27)30;1-29(2,3)30-31(22-14-6-4-7-15-22,23-16-8-5-9-17-23)28-26-20-12-10-18-24(26)25-19-11-13-21-27(25)28;2*1-19(2,3)20-21(4,5)18-16-12-8-6-10-14(16)15-11-7-9-13-17(15)18;4*1-8-6-4-5-7-9(8)10(2)3;;;;;;;;/h14-21,26-30H,6-13H2,1-5H3;4-21,24-28H,1-3H3;2*6,8,10,12,14-18H,7,9,11,13H2,1-5H3;4*4-7H,1H2,2-3H3;4*1H3;;;;/q12*-1;4*+3
InChIKeyZSLHVBDHGJWKNU-UHFFFAOYSA-N
MW2307.29 g/mol
LogP34.91
Rot. Bonds16

About [2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-bis(4-methylphenyl)silyl]-tert-butylazanide;bis([2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl(dimethyl)silyl]-tert-butylazanide);[4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl(diphenyl)silyl]-tert-butylazanide;carbanide;tetrakis(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+));yttrium(3+)

[2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-bis(4-methylphenyl)silyl]-tert-butylazanide;bis([2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl(dimethyl)silyl]-tert-butylazanide);[4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl(diphenyl)silyl]-tert-butylazanide;carbanide;tetrakis(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+));yttrium(3+) (PubChem CID 162279539) has the molecular formula C138H200N8Sc3Si4Y and a molecular weight of 2307.29 g/mol. Its IUPAC name is [2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-bis(4-methylphenyl)silyl]-tert-butylazanide;bis([2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl(dimethyl)silyl]-tert-butylazanide);[4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl(diphenyl)silyl]-tert-butylazanide;carbanide;tetrakis(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+));yttrium(3+).

Molecular Properties

Compound Name[2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-bis(4-methylphenyl)silyl]-tert-butylazanide;bis([2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl(dimethyl)silyl]-tert-butylazanide);[4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl(diphenyl)silyl]-tert-butylazanide;carbanide;tetrakis(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+));yttrium(3+)
PubChem CID162279539
Molecular FormulaC138H200N8Sc3Si4Y
Molecular Weight2307.29 g/mol
Exact Mass2305.27
IUPAC Name[2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-bis(4-methylphenyl)silyl]-tert-butylazanide;bis([2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl(dimethyl)silyl]-tert-butylazanide);[4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl(diphenyl)silyl]-tert-butylazanide;carbanide;tetrakis(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+));yttrium(3+)
SMILESCC(C)(C)[N-][Si](C)(C)C1C2C=CC=CC2C2CCCCC21.CC(C)(C)[N-][Si](C)(C)C1C2C=CC=CC2C2CCCCC21.CC(C)(C)[N-][Si](c1ccccc1)(c1ccccc1)C1C2C=CC=CC2C2C=CC=CC21.Cc1ccc([Si]([N-]C(C)(C)C)(c2ccc(C)cc2)C2C3CCCCC3C3CCCCC32)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].[Y+3]
InChIInChI=1S/C31H44NSi.C29H32NSi.2C19H32NSi.4C9H12N.4CH3.3Sc.Y/c1-22-14-18-24(19-15-22)33(32-31(3,4)5,25-20-16-23(2)17-21-25)30-28-12-8-6-10-26(28)27-11-7-9-13-29(27)30;1-29(2,3)30-31(22-14-6-4-7-15-22,23-16-8-5-9-17-23)28-26-20-12-10-18-24(26)25-19-11-13-21-27(25)28;2*1-19(2,3)20-21(4,5)18-16-12-8-6-10-14(16)15-11-7-9-13-17(15)18;4*1-8-6-4-5-7-9(8)10(2)3;;;;;;;;/h14-21,26-30H,6-13H2,1-5H3;4-21,24-28H,1-3H3;2*6,8,10,12,14-18H,7,9,11,13H2,1-5H3;4*4-7H,1H2,2-3H3;4*1H3;;;;/q12*-1;4*+3
InChIKeyZSLHVBDHGJWKNU-UHFFFAOYSA-N
XLogP34.91
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms154
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002307.29
LogP ≤ 534.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-bis(4-methylphenyl)silyl]-tert-butylazanide;bis([2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl(dimethyl)silyl]-tert-butylazanide);[4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl(diphenyl)silyl]-tert-butylazanide;carbanide;tetrakis(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+));yttrium(3+) with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-bis(4-methylphenyl)silyl]-tert-butylazanide;bis([2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl(dimethyl)silyl]-tert-butylazanide);[4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl(diphenyl)silyl]-tert-butylazanide;carbanide;tetrakis(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+));yttrium(3+)?
The IUPAC name of [2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-bis(4-methylphenyl)silyl]-tert-butylazanide;bis([2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl(dimethyl)silyl]-tert-butylazanide);[4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl(diphenyl)silyl]-tert-butylazanide;carbanide;tetrakis(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+));yttrium(3+) (CID 162279539) is [2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-bis(4-methylphenyl)silyl]-tert-butylazanide;bis([2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl(dimethyl)silyl]-tert-butylazanide);[4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl(diphenyl)silyl]-tert-butylazanide;carbanide;tetrakis(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+));yttrium(3+).
What is the SMILES notation for [2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-bis(4-methylphenyl)silyl]-tert-butylazanide;bis([2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl(dimethyl)silyl]-tert-butylazanide);[4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl(diphenyl)silyl]-tert-butylazanide;carbanide;tetrakis(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+));yttrium(3+)?
The canonical SMILES for [2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-bis(4-methylphenyl)silyl]-tert-butylazanide;bis([2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl(dimethyl)silyl]-tert-butylazanide);[4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl(diphenyl)silyl]-tert-butylazanide;carbanide;tetrakis(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+));yttrium(3+) is CC(C)(C)[N-][Si](C)(C)C1C2C=CC=CC2C2CCCCC21.CC(C)(C)[N-][Si](C)(C)C1C2C=CC=CC2C2CCCCC21.CC(C)(C)[N-][Si](c1ccccc1)(c1ccccc1)C1C2C=CC=CC2C2C=CC=CC21.Cc1ccc([Si]([N-]C(C)(C)C)(c2ccc(C)cc2)C2C3CCCCC3C3CCCCC32)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].[Y+3].
What is the InChIKey of [2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-bis(4-methylphenyl)silyl]-tert-butylazanide;bis([2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl(dimethyl)silyl]-tert-butylazanide);[4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl(diphenyl)silyl]-tert-butylazanide;carbanide;tetrakis(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+));yttrium(3+)?
The InChIKey is ZSLHVBDHGJWKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44NSi.C29H32NSi.2C19H32NSi.4C9H12N.4CH3.3Sc.Y/c1-22-14-18-24(19-15-22)33(32-31(3,4)5,25-20-16-23(2)17-21-25)30-28-12-8-6-10-26(28)27-11-7-9-13-29(27)30;1-29(2,3)30-31(22-14-6-4-7-15-22,23-16-8-5-9-17-23)28-26-20-12-10-18-24(26)25-19-11-13-21-27(25)28;2*1-19(2,3)20-21(4,5)18-16-12-8-6-10-14(16)15-11-7-9-13-17(15)18;4*1-8-6-4-5-7-9(8)10(2)3;;;;;;;;/h14-21,26-30H,6-13H2,1-5H3;4-21,24-28H,1-3H3;2*6,8,10,12,14-18H,7,9,11,13H2,1-5H3;4*4-7H,1H2,2-3H3;4*1H3;;;;/q12*-1;4*+3.
What are the key properties of [2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-bis(4-methylphenyl)silyl]-tert-butylazanide;bis([2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl(dimethyl)silyl]-tert-butylazanide);[4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl(diphenyl)silyl]-tert-butylazanide;carbanide;tetrakis(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+));yttrium(3+)?
[2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-bis(4-methylphenyl)silyl]-tert-butylazanide;bis([2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl(dimethyl)silyl]-tert-butylazanide);[4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl(diphenyl)silyl]-tert-butylazanide;carbanide;tetrakis(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+));yttrium(3+) has a molecular weight of 2307.29 g/mol, XLogP of 34.91, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl-bis(4-methylphenyl)silyl]-tert-butylazanide;bis([2,3,4,4a,4b,8a,9,9a-octahydro-1H-fluoren-9-yl(dimethyl)silyl]-tert-butylazanide);[4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl(diphenyl)silyl]-tert-butylazanide;carbanide;tetrakis(2-methanidyl-N,N-dimethylaniline);tris(scandium(3+));yttrium(3+) is sourced from PubChem (CID 162279539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).