bis(tert-butyl-(tert-butyldiazenyl)azanide);tetrakis((tert-butyldiazenyl)-methylazanide);carbanide;bis(chlororuthenium(2+));methanone;tetrakis(1-methyl-4-propan-2-ylbenzene);bis(1,2,3,4,5-pentamethylcyclopentane);ruthenium(2+);ruthenium(3+);bis(ruthenium(2+) monohydride)

C103H199Cl2N18ORu6 — CID 162279687

About bis(tert-butyl-(tert-butyldiazenyl)azanide);tetrakis((tert-butyldiazenyl)-methylazanide);carbanide;bis(chlororuthenium(2+));methanone;tetrakis(1-methyl-4-propan-2-ylbenzene);bis(1,2,3,4,5-pentamethylcyclopentane);ruthenium(2+);ruthenium(3+);bis(ruthenium(2+) monohydride)

bis(tert-butyl-(tert-butyldiazenyl)azanide);tetrakis((tert-butyldiazenyl)-methylazanide);carbanide;bis(chlororuthenium(2+));methanone;tetrakis(1-methyl-4-propan-2-ylbenzene);bis(1,2,3,4,5-pentamethylcyclopentane);ruthenium(2+);ruthenium(3+);bis(ruthenium(2+) monohydride) (PubChem CID 162279687) has the molecular formula C103H199Cl2N18ORu6 and a molecular weight of 2383.18 g/mol. Its IUPAC name is bis(tert-butyl-(tert-butyldiazenyl)azanide);tetrakis((tert-butyldiazenyl)-methylazanide);carbanide;bis(chlororuthenium(2+));methanone;tetrakis(1-methyl-4-propan-2-ylbenzene);bis(1,2,3,4,5-pentamethylcyclopentane);ruthenium(2+);ruthenium(3+);bis(ruthenium(2+) monohydride).

Molecular Properties

• Compound Name: bis(tert-butyl-(tert-butyldiazenyl)azanide);tetrakis((tert-butyldiazenyl)-methylazanide);carbanide;bis(chlororuthenium(2+));methanone;tetrakis(1-methyl-4-propan-2-ylbenzene);bis(1,2,3,4,5-pentamethylcyclopentane);ruthenium(2+);ruthenium(3+);bis(ruthenium(2+) monohydride)
• PubChem CID: 162279687
• Molecular Formula: C103H199Cl2N18ORu6
• Molecular Weight: 2383.18 g/mol
• Exact Mass: 2385.97
• IUPAC Name: bis(tert-butyl-(tert-butyldiazenyl)azanide);tetrakis((tert-butyldiazenyl)-methylazanide);carbanide;bis(chlororuthenium(2+));methanone;tetrakis(1-methyl-4-propan-2-ylbenzene);bis(1,2,3,4,5-pentamethylcyclopentane);ruthenium(2+);ruthenium(3+);bis(ruthenium(2+) monohydride)
• SMILES: CC(C)(C)/N=N/[N-]C(C)(C)C.CC(C)(C)/N=N/[N-]C(C)(C)C.CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.C[N-]/N=N/C(C)(C)C.C[N-]/N=N/C(C)(C)C.C[N-]/N=N/C(C)(C)C.C[N-]/N=N/C(C)(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cl[Ru+2].Cl[Ru+2].[CH-]=O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ru+2].[Ru+2].[Ru+2].[Ru+3]
• InChI: InChI=1S/4C10H14.2C10H20.2C8H18N3.4C5H12N3.CHO.6CH3.2ClH.6Ru/c4*1-8(2)10-6-4-9(3)5-7-10;2*1-6-7(2)9(4)10(5)8(6)3;2*1-7(2,3)9-11-10-8(4,5)6;4*1-5(2,3)7-8-6-4;1-2;;;;;;;;;;;;;;/h4*4-8H,1-3H3;2*6-10H,1-5H3;2*1-6H3;4*1-4H3;1H;6*1H3;2*1H;;;;;;/q;;;;;;13*-1;;;3*+2;3*+3/p-2
• InChIKey: QGHHLDBTBLAIBV-UHFFFAOYSA-L
• XLogP: 37.90
• TPSA: 249.99 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2383.18
LogP ≤ 5	37.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(tert-butyl-(tert-butyldiazenyl)azanide);tetrakis((tert-butyldiazenyl)-methylazanide);carbanide;bis(chlororuthenium(2+));methanone;tetrakis(1-methyl-4-propan-2-ylbenzene);bis(1,2,3,4,5-pentamethylcyclopentane);ruthenium(2+);ruthenium(3+);bis(ruthenium(2+) monohydride)?

The IUPAC name of bis(tert-butyl-(tert-butyldiazenyl)azanide);tetrakis((tert-butyldiazenyl)-methylazanide);carbanide;bis(chlororuthenium(2+));methanone;tetrakis(1-methyl-4-propan-2-ylbenzene);bis(1,2,3,4,5-pentamethylcyclopentane);ruthenium(2+);ruthenium(3+);bis(ruthenium(2+) monohydride) (CID 162279687) is bis(tert-butyl-(tert-butyldiazenyl)azanide);tetrakis((tert-butyldiazenyl)-methylazanide);carbanide;bis(chlororuthenium(2+));methanone;tetrakis(1-methyl-4-propan-2-ylbenzene);bis(1,2,3,4,5-pentamethylcyclopentane);ruthenium(2+);ruthenium(3+);bis(ruthenium(2+) monohydride).

What is the SMILES notation for bis(tert-butyl-(tert-butyldiazenyl)azanide);tetrakis((tert-butyldiazenyl)-methylazanide);carbanide;bis(chlororuthenium(2+));methanone;tetrakis(1-methyl-4-propan-2-ylbenzene);bis(1,2,3,4,5-pentamethylcyclopentane);ruthenium(2+);ruthenium(3+);bis(ruthenium(2+) monohydride)?

The canonical SMILES for bis(tert-butyl-(tert-butyldiazenyl)azanide);tetrakis((tert-butyldiazenyl)-methylazanide);carbanide;bis(chlororuthenium(2+));methanone;tetrakis(1-methyl-4-propan-2-ylbenzene);bis(1,2,3,4,5-pentamethylcyclopentane);ruthenium(2+);ruthenium(3+);bis(ruthenium(2+) monohydride) is CC(C)(C)/N=N/[N-]C(C)(C)C.CC(C)(C)/N=N/[N-]C(C)(C)C.CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.C[N-]/N=N/C(C)(C)C.C[N-]/N=N/C(C)(C)C.C[N-]/N=N/C(C)(C)C.C[N-]/N=N/C(C)(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cl[Ru+2].Cl[Ru+2].[CH-]=O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ru+2].[Ru+2].[Ru+2].[Ru+3].

What is the InChIKey of bis(tert-butyl-(tert-butyldiazenyl)azanide);tetrakis((tert-butyldiazenyl)-methylazanide);carbanide;bis(chlororuthenium(2+));methanone;tetrakis(1-methyl-4-propan-2-ylbenzene);bis(1,2,3,4,5-pentamethylcyclopentane);ruthenium(2+);ruthenium(3+);bis(ruthenium(2+) monohydride)?

The InChIKey is QGHHLDBTBLAIBV-UHFFFAOYSA-L. The full InChI is InChI=1S/4C10H14.2C10H20.2C8H18N3.4C5H12N3.CHO.6CH3.2ClH.6Ru/c4*1-8(2)10-6-4-9(3)5-7-10;2*1-6-7(2)9(4)10(5)8(6)3;2*1-7(2,3)9-11-10-8(4,5)6;4*1-5(2,3)7-8-6-4;1-2;;;;;;;;;;;;;;/h4*4-8H,1-3H3;2*6-10H,1-5H3;2*1-6H3;4*1-4H3;1H;6*1H3;2*1H;;;;;;/q;;;;;;13*-1;;;3*+2;3*+3/p-2.

What are the key properties of bis(tert-butyl-(tert-butyldiazenyl)azanide);tetrakis((tert-butyldiazenyl)-methylazanide);carbanide;bis(chlororuthenium(2+));methanone;tetrakis(1-methyl-4-propan-2-ylbenzene);bis(1,2,3,4,5-pentamethylcyclopentane);ruthenium(2+);ruthenium(3+);bis(ruthenium(2+) monohydride)?

bis(tert-butyl-(tert-butyldiazenyl)azanide);tetrakis((tert-butyldiazenyl)-methylazanide);carbanide;bis(chlororuthenium(2+));methanone;tetrakis(1-methyl-4-propan-2-ylbenzene);bis(1,2,3,4,5-pentamethylcyclopentane);ruthenium(2+);ruthenium(3+);bis(ruthenium(2+) monohydride) has a molecular weight of 2383.18 g/mol, XLogP of 37.90, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for bis(tert-butyl-(tert-butyldiazenyl)azanide);tetrakis((tert-butyldiazenyl)-methylazanide);carbanide;bis(chlororuthenium(2+));methanone;tetrakis(1-methyl-4-propan-2-ylbenzene);bis(1,2,3,4,5-pentamethylcyclopentane);ruthenium(2+);ruthenium(3+);bis(ruthenium(2+) monohydride) is sourced from PubChem (CID 162279687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).