bis(2,6-bis(3-butylimidazol-3-ium-1-yl)pyridine);bis(gold(1+));bis(gold(3+));dodecabromide

C38H54Au4Br12N10 — CID 139108545

About bis(2,6-bis(3-butylimidazol-3-ium-1-yl)pyridine);bis(gold(1+));bis(gold(3+));dodecabromide

bis(2,6-bis(3-butylimidazol-3-ium-1-yl)pyridine);bis(gold(1+));bis(gold(3+));dodecabromide (PubChem CID 139108545) has the molecular formula C38H54Au4Br12N10 and a molecular weight of 2397.64 g/mol. Its IUPAC name is bis(2,6-bis(3-butylimidazol-3-ium-1-yl)pyridine);bis(gold(1+));bis(gold(3+));dodecabromide.

Molecular Properties

• Compound Name: bis(2,6-bis(3-butylimidazol-3-ium-1-yl)pyridine);bis(gold(1+));bis(gold(3+));dodecabromide
• PubChem CID: 139108545
• Molecular Formula: C38H54Au4Br12N10
• Molecular Weight: 2397.64 g/mol
• Exact Mass: 2385.34
• IUPAC Name: bis(2,6-bis(3-butylimidazol-3-ium-1-yl)pyridine);bis(gold(1+));bis(gold(3+));dodecabromide
• SMILES: CCCC[n+]1ccn(-c2cccc(-n3cc[n+](CCCC)c3)n2)c1.CCCC[n+]1ccn(-c2cccc(-n3cc[n+](CCCC)c3)n2)c1.[Au+3].[Au+3].[Au+].[Au+].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-]
• InChI: InChI=1S/2C19H27N5.4Au.12BrH/c2*1-3-5-10-21-12-14-23(16-21)18-8-7-9-19(20-18)24-15-13-22(17-24)11-6-4-2;;;;;;;;;;;;;;;;/h2*7-9,12-17H,3-6,10-11H2,1-2H3;;;;;12*1H/q2*+2;2*+1;2*+3;;;;;;;;;;;;/p-12
• InChIKey: RASLMJCDJUASOK-UHFFFAOYSA-B
• XLogP: -30.29
• TPSA: 61.02 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	2397.64
LogP ≤ 5	-30.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2,6-bis(3-butylimidazol-3-ium-1-yl)pyridine);bis(gold(1+));bis(gold(3+));dodecabromide?

The IUPAC name of bis(2,6-bis(3-butylimidazol-3-ium-1-yl)pyridine);bis(gold(1+));bis(gold(3+));dodecabromide (CID 139108545) is bis(2,6-bis(3-butylimidazol-3-ium-1-yl)pyridine);bis(gold(1+));bis(gold(3+));dodecabromide.

What is the SMILES notation for bis(2,6-bis(3-butylimidazol-3-ium-1-yl)pyridine);bis(gold(1+));bis(gold(3+));dodecabromide?

The canonical SMILES for bis(2,6-bis(3-butylimidazol-3-ium-1-yl)pyridine);bis(gold(1+));bis(gold(3+));dodecabromide is CCCC[n+]1ccn(-c2cccc(-n3cc[n+](CCCC)c3)n2)c1.CCCC[n+]1ccn(-c2cccc(-n3cc[n+](CCCC)c3)n2)c1.[Au+3].[Au+3].[Au+].[Au+].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].

What is the InChIKey of bis(2,6-bis(3-butylimidazol-3-ium-1-yl)pyridine);bis(gold(1+));bis(gold(3+));dodecabromide?

The InChIKey is RASLMJCDJUASOK-UHFFFAOYSA-B. The full InChI is InChI=1S/2C19H27N5.4Au.12BrH/c2*1-3-5-10-21-12-14-23(16-21)18-8-7-9-19(20-18)24-15-13-22(17-24)11-6-4-2;;;;;;;;;;;;;;;;/h2*7-9,12-17H,3-6,10-11H2,1-2H3;;;;;12*1H/q2*+2;2*+1;2*+3;;;;;;;;;;;;/p-12.

What are the key properties of bis(2,6-bis(3-butylimidazol-3-ium-1-yl)pyridine);bis(gold(1+));bis(gold(3+));dodecabromide?

bis(2,6-bis(3-butylimidazol-3-ium-1-yl)pyridine);bis(gold(1+));bis(gold(3+));dodecabromide has a molecular weight of 2397.64 g/mol, XLogP of -30.29, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,6-bis(3-butylimidazol-3-ium-1-yl)pyridine);bis(gold(1+));bis(gold(3+));dodecabromide is sourced from PubChem (CID 139108545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).