2-indolo[3,2-b]quinoxalin-6-ylethyl-[6-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide

C42H48Br2N8 — CID 25178743

IUPAC2-indolo[3,2-b]quinoxalin-6-ylethyl-[6-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide
SMILESC[N+](C)(CCCCCC[N+](C)(C)CCn1c2ccccc2c2nc3ccccc3nc21)CCn1c2ccccc2c2nc3ccccc3nc21.[Br-].[Br-]
InChIInChI=1S/C42H48N8.2BrH/c1-49(2,29-25-47-37-23-13-7-17-31(37)39-41(47)45-35-21-11-9-19-33(35)43-39)27-15-5-6-16-28-50(3,4)30-26-48-38-24-14-8-18-32(38)40-42(48)46-36-22-12-10-20-34(36)44-40;;/h7-14,17-24H,5-6,15-16,25-30H2,1-4H3;2*1H/q+2;;/p-2
InChIKeyTVMXFDLVDZWKHO-UHFFFAOYSA-L
MW824.71 g/mol
LogP2.21
Rot. Bonds13

About 2-indolo[3,2-b]quinoxalin-6-ylethyl-[6-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide

2-indolo[3,2-b]quinoxalin-6-ylethyl-[6-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide (PubChem CID 25178743) has the molecular formula C42H48Br2N8 and a molecular weight of 824.71 g/mol. Its IUPAC name is 2-indolo[3,2-b]quinoxalin-6-ylethyl-[6-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide.

Molecular Properties

Compound Name2-indolo[3,2-b]quinoxalin-6-ylethyl-[6-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide
PubChem CID25178743
Molecular FormulaC42H48Br2N8
Molecular Weight824.71 g/mol
Exact Mass822.24
IUPAC Name2-indolo[3,2-b]quinoxalin-6-ylethyl-[6-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide
SMILESC[N+](C)(CCCCCC[N+](C)(C)CCn1c2ccccc2c2nc3ccccc3nc21)CCn1c2ccccc2c2nc3ccccc3nc21.[Br-].[Br-]
InChIInChI=1S/C42H48N8.2BrH/c1-49(2,29-25-47-37-23-13-7-17-31(37)39-41(47)45-35-21-11-9-19-33(35)43-39)27-15-5-6-16-28-50(3,4)30-26-48-38-24-14-8-18-32(38)40-42(48)46-36-22-12-10-20-34(36)44-40;;/h7-14,17-24H,5-6,15-16,25-30H2,1-4H3;2*1H/q+2;;/p-2
InChIKeyTVMXFDLVDZWKHO-UHFFFAOYSA-L
XLogP2.21
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms52
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500824.71
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-indolo[3,2-b]quinoxalin-6-ylethyl-[6-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-indolo[3,2-b]quinoxalin-6-ylethyl-[6-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide?
The IUPAC name of 2-indolo[3,2-b]quinoxalin-6-ylethyl-[6-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide (CID 25178743) is 2-indolo[3,2-b]quinoxalin-6-ylethyl-[6-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide.
What is the SMILES notation for 2-indolo[3,2-b]quinoxalin-6-ylethyl-[6-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide?
The canonical SMILES for 2-indolo[3,2-b]quinoxalin-6-ylethyl-[6-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide is C[N+](C)(CCCCCC[N+](C)(C)CCn1c2ccccc2c2nc3ccccc3nc21)CCn1c2ccccc2c2nc3ccccc3nc21.[Br-].[Br-].
What is the InChIKey of 2-indolo[3,2-b]quinoxalin-6-ylethyl-[6-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide?
The InChIKey is TVMXFDLVDZWKHO-UHFFFAOYSA-L. The full InChI is InChI=1S/C42H48N8.2BrH/c1-49(2,29-25-47-37-23-13-7-17-31(37)39-41(47)45-35-21-11-9-19-33(35)43-39)27-15-5-6-16-28-50(3,4)30-26-48-38-24-14-8-18-32(38)40-42(48)46-36-22-12-10-20-34(36)44-40;;/h7-14,17-24H,5-6,15-16,25-30H2,1-4H3;2*1H/q+2;;/p-2.
What are the key properties of 2-indolo[3,2-b]quinoxalin-6-ylethyl-[6-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide?
2-indolo[3,2-b]quinoxalin-6-ylethyl-[6-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide has a molecular weight of 824.71 g/mol, XLogP of 2.21, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indolo[3,2-b]quinoxalin-6-ylethyl-[6-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide is sourced from PubChem (CID 25178743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).