5-bromo-3-(5-bromo-1H-indol-3-yl)-1H-indole;3-(5-bromo-1H-indol-3-yl)-5-isocyano-1H-indole;copper(1+);3-(5-isocyano-1H-indol-3-yl)-1H-indole-5-carbonitrile;methane;cyanide

C54H38Br3CuN10 — CID 162004752

About 5-bromo-3-(5-bromo-1H-indol-3-yl)-1H-indole;3-(5-bromo-1H-indol-3-yl)-5-isocyano-1H-indole;copper(1+);3-(5-isocyano-1H-indol-3-yl)-1H-indole-5-carbonitrile;methane;cyanide

5-bromo-3-(5-bromo-1H-indol-3-yl)-1H-indole;3-(5-bromo-1H-indol-3-yl)-5-isocyano-1H-indole;copper(1+);3-(5-isocyano-1H-indol-3-yl)-1H-indole-5-carbonitrile;methane;cyanide (PubChem CID 162004752) has the molecular formula C54H38Br3CuN10 and a molecular weight of 1130.23 g/mol. Its IUPAC name is 5-bromo-3-(5-bromo-1H-indol-3-yl)-1H-indole;3-(5-bromo-1H-indol-3-yl)-5-isocyano-1H-indole;copper(1+);3-(5-isocyano-1H-indol-3-yl)-1H-indole-5-carbonitrile;methane;cyanide.

Molecular Properties

• Compound Name: 5-bromo-3-(5-bromo-1H-indol-3-yl)-1H-indole;3-(5-bromo-1H-indol-3-yl)-5-isocyano-1H-indole;copper(1+);3-(5-isocyano-1H-indol-3-yl)-1H-indole-5-carbonitrile;methane;cyanide
• PubChem CID: 162004752
• Molecular Formula: C54H38Br3CuN10
• Molecular Weight: 1130.23 g/mol
• Exact Mass: 1126.01
• IUPAC Name: 5-bromo-3-(5-bromo-1H-indol-3-yl)-1H-indole;3-(5-bromo-1H-indol-3-yl)-5-isocyano-1H-indole;copper(1+);3-(5-isocyano-1H-indol-3-yl)-1H-indole-5-carbonitrile;methane;cyanide
• SMILES: Brc1ccc2[nH]cc(-c3c[nH]c4ccc(Br)cc34)c2c1.C.C.[C-]#N.[C-]#[N+]c1ccc2[nH]cc(-c3c[nH]c4ccc(Br)cc34)c2c1.[C-]#[N+]c1ccc2[nH]cc(-c3c[nH]c4ccc(C#N)cc34)c2c1.[Cu+]
• InChI: InChI=1S/C18H10N4.C17H10BrN3.C16H10Br2N2.CN.2CH4.Cu/c1-20-12-3-5-18-14(7-12)16(10-22-18)15-9-21-17-4-2-11(8-19)6-13(15)17;1-19-11-3-5-17-13(7-11)15(9-21-17)14-8-20-16-4-2-10(18)6-12(14)16;17-9-1-3-15-11(5-9)13(7-19-15)14-8-20-16-4-2-10(18)6-12(14)16;1-2;;;/h2-7,9-10,21-22H;2-9,20-21H;1-8,19-20H;;2*1H4;/q;;;-1;;;+1
• InChIKey: AEGMIQDFBIYXKY-UHFFFAOYSA-N
• XLogP: 17.58
• TPSA: 151.04 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1130.23
LogP ≤ 5	17.58
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(5-bromo-1H-indol-3-yl)-1H-indole;3-(5-bromo-1H-indol-3-yl)-5-isocyano-1H-indole;copper(1+);3-(5-isocyano-1H-indol-3-yl)-1H-indole-5-carbonitrile;methane;cyanide?

The IUPAC name of 5-bromo-3-(5-bromo-1H-indol-3-yl)-1H-indole;3-(5-bromo-1H-indol-3-yl)-5-isocyano-1H-indole;copper(1+);3-(5-isocyano-1H-indol-3-yl)-1H-indole-5-carbonitrile;methane;cyanide (CID 162004752) is 5-bromo-3-(5-bromo-1H-indol-3-yl)-1H-indole;3-(5-bromo-1H-indol-3-yl)-5-isocyano-1H-indole;copper(1+);3-(5-isocyano-1H-indol-3-yl)-1H-indole-5-carbonitrile;methane;cyanide.

What is the SMILES notation for 5-bromo-3-(5-bromo-1H-indol-3-yl)-1H-indole;3-(5-bromo-1H-indol-3-yl)-5-isocyano-1H-indole;copper(1+);3-(5-isocyano-1H-indol-3-yl)-1H-indole-5-carbonitrile;methane;cyanide?

The canonical SMILES for 5-bromo-3-(5-bromo-1H-indol-3-yl)-1H-indole;3-(5-bromo-1H-indol-3-yl)-5-isocyano-1H-indole;copper(1+);3-(5-isocyano-1H-indol-3-yl)-1H-indole-5-carbonitrile;methane;cyanide is Brc1ccc2[nH]cc(-c3c[nH]c4ccc(Br)cc34)c2c1.C.C.[C-]#N.[C-]#[N+]c1ccc2[nH]cc(-c3c[nH]c4ccc(Br)cc34)c2c1.[C-]#[N+]c1ccc2[nH]cc(-c3c[nH]c4ccc(C#N)cc34)c2c1.[Cu+].

What is the InChIKey of 5-bromo-3-(5-bromo-1H-indol-3-yl)-1H-indole;3-(5-bromo-1H-indol-3-yl)-5-isocyano-1H-indole;copper(1+);3-(5-isocyano-1H-indol-3-yl)-1H-indole-5-carbonitrile;methane;cyanide?

The InChIKey is AEGMIQDFBIYXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N4.C17H10BrN3.C16H10Br2N2.CN.2CH4.Cu/c1-20-12-3-5-18-14(7-12)16(10-22-18)15-9-21-17-4-2-11(8-19)6-13(15)17;1-19-11-3-5-17-13(7-11)15(9-21-17)14-8-20-16-4-2-10(18)6-12(14)16;17-9-1-3-15-11(5-9)13(7-19-15)14-8-20-16-4-2-10(18)6-12(14)16;1-2;;;/h2-7,9-10,21-22H;2-9,20-21H;1-8,19-20H;;2*1H4;/q;;;-1;;;+1.

What are the key properties of 5-bromo-3-(5-bromo-1H-indol-3-yl)-1H-indole;3-(5-bromo-1H-indol-3-yl)-5-isocyano-1H-indole;copper(1+);3-(5-isocyano-1H-indol-3-yl)-1H-indole-5-carbonitrile;methane;cyanide?

5-bromo-3-(5-bromo-1H-indol-3-yl)-1H-indole;3-(5-bromo-1H-indol-3-yl)-5-isocyano-1H-indole;copper(1+);3-(5-isocyano-1H-indol-3-yl)-1H-indole-5-carbonitrile;methane;cyanide has a molecular weight of 1130.23 g/mol, XLogP of 17.58, 3 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-(5-bromo-1H-indol-3-yl)-1H-indole;3-(5-bromo-1H-indol-3-yl)-5-isocyano-1H-indole;copper(1+);3-(5-isocyano-1H-indol-3-yl)-1H-indole-5-carbonitrile;methane;cyanide is sourced from PubChem (CID 162004752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).