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

C39H42Br2N8 — CID 24742692

IUPAC2-indolo[3,2-b]quinoxalin-6-ylethyl-[3-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]propyl]-dimethylazanium dibromide
SMILESC[N+](C)(CCC[N+](C)(C)CCn1c2ccccc2c2nc3ccccc3nc21)CCn1c2ccccc2c2nc3ccccc3nc21.[Br-].[Br-]
InChIInChI=1S/C39H42N8.2BrH/c1-46(2,26-22-44-34-20-11-5-14-28(34)36-38(44)42-32-18-9-7-16-30(32)40-36)24-13-25-47(3,4)27-23-45-35-21-12-6-15-29(35)37-39(45)43-33-19-10-8-17-31(33)41-37;;/h5-12,14-21H,13,22-27H2,1-4H3;2*1H/q+2;;/p-2
InChIKeyXJCTXXXAPHEOSI-UHFFFAOYSA-L
MW782.63 g/mol
LogP1.04
Rot. Bonds10

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

2-indolo[3,2-b]quinoxalin-6-ylethyl-[3-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]propyl]-dimethylazanium dibromide (PubChem CID 24742692) has the molecular formula C39H42Br2N8 and a molecular weight of 782.63 g/mol. Its IUPAC name is 2-indolo[3,2-b]quinoxalin-6-ylethyl-[3-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]propyl]-dimethylazanium dibromide.

Molecular Properties

Compound Name2-indolo[3,2-b]quinoxalin-6-ylethyl-[3-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]propyl]-dimethylazanium dibromide
PubChem CID24742692
Molecular FormulaC39H42Br2N8
Molecular Weight782.63 g/mol
Exact Mass780.19
IUPAC Name2-indolo[3,2-b]quinoxalin-6-ylethyl-[3-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]propyl]-dimethylazanium dibromide
SMILESC[N+](C)(CCC[N+](C)(C)CCn1c2ccccc2c2nc3ccccc3nc21)CCn1c2ccccc2c2nc3ccccc3nc21.[Br-].[Br-]
InChIInChI=1S/C39H42N8.2BrH/c1-46(2,26-22-44-34-20-11-5-14-28(34)36-38(44)42-32-18-9-7-16-30(32)40-36)24-13-25-47(3,4)27-23-45-35-21-12-6-15-29(35)37-39(45)43-33-19-10-8-17-31(33)41-37;;/h5-12,14-21H,13,22-27H2,1-4H3;2*1H/q+2;;/p-2
InChIKeyXJCTXXXAPHEOSI-UHFFFAOYSA-L
XLogP1.04
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500782.63
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-indolo[3,2-b]quinoxalin-6-ylethyl-[3-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]propyl]-dimethylazanium dibromide?
The IUPAC name of 2-indolo[3,2-b]quinoxalin-6-ylethyl-[3-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]propyl]-dimethylazanium dibromide (CID 24742692) is 2-indolo[3,2-b]quinoxalin-6-ylethyl-[3-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]propyl]-dimethylazanium dibromide.
What is the SMILES notation for 2-indolo[3,2-b]quinoxalin-6-ylethyl-[3-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]propyl]-dimethylazanium dibromide?
The canonical SMILES for 2-indolo[3,2-b]quinoxalin-6-ylethyl-[3-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]propyl]-dimethylazanium dibromide is C[N+](C)(CCC[N+](C)(C)CCn1c2ccccc2c2nc3ccccc3nc21)CCn1c2ccccc2c2nc3ccccc3nc21.[Br-].[Br-].
What is the InChIKey of 2-indolo[3,2-b]quinoxalin-6-ylethyl-[3-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]propyl]-dimethylazanium dibromide?
The InChIKey is XJCTXXXAPHEOSI-UHFFFAOYSA-L. The full InChI is InChI=1S/C39H42N8.2BrH/c1-46(2,26-22-44-34-20-11-5-14-28(34)36-38(44)42-32-18-9-7-16-30(32)40-36)24-13-25-47(3,4)27-23-45-35-21-12-6-15-29(35)37-39(45)43-33-19-10-8-17-31(33)41-37;;/h5-12,14-21H,13,22-27H2,1-4H3;2*1H/q+2;;/p-2.
What are the key properties of 2-indolo[3,2-b]quinoxalin-6-ylethyl-[3-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]propyl]-dimethylazanium dibromide?
2-indolo[3,2-b]quinoxalin-6-ylethyl-[3-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]propyl]-dimethylazanium dibromide has a molecular weight of 782.63 g/mol, XLogP of 1.04, 10 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-[3-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]propyl]-dimethylazanium dibromide is sourced from PubChem (CID 24742692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).