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

C42H48N8+2 — CID 25178744

IUPAC2-indolo[3,2-b]quinoxalin-6-ylethyl-[6-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
SMILESC[N+](C)(CCCCCC[N+](C)(C)CCn1c2ccccc2c2nc3ccccc3nc21)CCn1c2ccccc2c2nc3ccccc3nc21
InChIInChI=1S/C42H48N8/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/q+2
InChIKeyVBOOTTOFKQKSDE-UHFFFAOYSA-N
MW664.90 g/mol
LogP8.20
Rot. Bonds13

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

2-indolo[3,2-b]quinoxalin-6-ylethyl-[6-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]hexyl]-dimethylazanium (PubChem CID 25178744) has the molecular formula C42H48N8+2 and a molecular weight of 664.90 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.

Molecular Properties

Compound Name2-indolo[3,2-b]quinoxalin-6-ylethyl-[6-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
PubChem CID25178744
Molecular FormulaC42H48N8+2
Molecular Weight664.90 g/mol
Exact Mass664.40
IUPAC Name2-indolo[3,2-b]quinoxalin-6-ylethyl-[6-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
SMILESC[N+](C)(CCCCCC[N+](C)(C)CCn1c2ccccc2c2nc3ccccc3nc21)CCn1c2ccccc2c2nc3ccccc3nc21
InChIInChI=1S/C42H48N8/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/q+2
InChIKeyVBOOTTOFKQKSDE-UHFFFAOYSA-N
XLogP8.20
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.90
LogP ≤ 58.20
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 with MolForge

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

Launch Full Analysis

Related Compounds

CID 57469
CID 57469
CID 52945312
CID 52945312
CID 1043331
CID 1043331
CID 853286
CID 853286
CID 52944297
CID 52944297
CID 816945
CID 816945
CID 11710453
CID 11710453
CID 56595784
CID 56595784
CID 155673373
CID 155673373
CID 254365
CID 254365
CID 936790
CID 936790
CID 3742567
CID 3742567

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?
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 (CID 25178744) is 2-indolo[3,2-b]quinoxalin-6-ylethyl-[6-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]hexyl]-dimethylazanium.
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?
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 is C[N+](C)(CCCCCC[N+](C)(C)CCn1c2ccccc2c2nc3ccccc3nc21)CCn1c2ccccc2c2nc3ccccc3nc21.
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?
The InChIKey is VBOOTTOFKQKSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H48N8/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/q+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?
2-indolo[3,2-b]quinoxalin-6-ylethyl-[6-[2-indolo[3,2-b]quinoxalin-6-ylethyl(dimethyl)azaniumyl]hexyl]-dimethylazanium has a molecular weight of 664.90 g/mol, XLogP of 8.20, 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 is sourced from PubChem (CID 25178744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).