1-butyl-3-[[3-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]quinoxalin-2-yl]diazenyl]indol-2-ol

C32H32N8O2 — CID 135687000

IUPAC1-butyl-3-[[3-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]quinoxalin-2-yl]diazenyl]indol-2-ol
SMILESCCCCn1c(O)c(/N=N/c2nc3ccccc3nc2/N=N/c2c(O)n(CCCC)c3ccccc23)c2ccccc21
InChIInChI=1S/C32H32N8O2/c1-3-5-19-39-25-17-11-7-13-21(25)27(31(39)41)35-37-29-30(34-24-16-10-9-15-23(24)33-29)38-36-28-22-14-8-12-18-26(22)40(32(28)42)20-6-4-2/h7-18,41-42H,3-6,19-20H2,1-2H3/b37-35+,38-36+
InChIKeyBVIBANSMDWOMIR-ATXIYDNESA-N
MW560.66 g/mol
LogP9.38
Rot. Bonds10

About 1-butyl-3-[[3-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]quinoxalin-2-yl]diazenyl]indol-2-ol

1-butyl-3-[[3-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]quinoxalin-2-yl]diazenyl]indol-2-ol (PubChem CID 135687000) has the molecular formula C32H32N8O2 and a molecular weight of 560.66 g/mol. Its IUPAC name is 1-butyl-3-[[3-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]quinoxalin-2-yl]diazenyl]indol-2-ol.

Molecular Properties

Compound Name1-butyl-3-[[3-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]quinoxalin-2-yl]diazenyl]indol-2-ol
PubChem CID135687000
Molecular FormulaC32H32N8O2
Molecular Weight560.66 g/mol
Exact Mass560.26
IUPAC Name1-butyl-3-[[3-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]quinoxalin-2-yl]diazenyl]indol-2-ol
SMILESCCCCn1c(O)c(/N=N/c2nc3ccccc3nc2/N=N/c2c(O)n(CCCC)c3ccccc23)c2ccccc21
InChIInChI=1S/C32H32N8O2/c1-3-5-19-39-25-17-11-7-13-21(25)27(31(39)41)35-37-29-30(34-24-16-10-9-15-23(24)33-29)38-36-28-22-14-8-12-18-26(22)40(32(28)42)20-6-4-2/h7-18,41-42H,3-6,19-20H2,1-2H3/b37-35+,38-36+
InChIKeyBVIBANSMDWOMIR-ATXIYDNESA-N
XLogP9.38
TPSA125.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.66
LogP ≤ 59.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 1-butyl-3-[[3-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]quinoxalin-2-yl]diazenyl]indol-2-ol with MolForge

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Related Compounds

[amino-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]methylidene]azanium
CID 135754966
1-butyl-3-[[2-hydroxy-3-[2-(2-methylphenyl)ethyl]phenyl]diazenyl]indol-2-ol
CID 136596075
methyl N-(2-hydroxy-1-pentylindol-3-yl)iminocarbamate
CID 2692604
3-(1H-benzimidazol-2-yldiazenyl)-1-ethylindol-2-ol
CID 3655965
tert-butyl N-(1-hexyl-2-hydroxyindol-3-yl)iminocarbamate
CID 135881483
N-(1-butyl-2-hydroxyindol-3-yl)imino-3-hydroxybenzamide
CID 2696561
9-butylcarbazol-3-ol
CID 140908966
4-bromo-N-(1-butyl-2-hydroxyindol-3-yl)imino-1H-pyrrole-2-carboxamide
CID 135846592
3-ethyl-2-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]quinazolin-4-one
CID 135839900
N-(1-butyl-2-hydroxyindol-3-yl)imino-3-nitrobenzamide
CID 135824408
4-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]-N,N-diethyl-3-nitrobenzenesulfonamide
CID 3252841
1-butyl-3-nitroso-2-phenylindole
CID 155676886

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[[3-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]quinoxalin-2-yl]diazenyl]indol-2-ol?
The IUPAC name of 1-butyl-3-[[3-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]quinoxalin-2-yl]diazenyl]indol-2-ol (CID 135687000) is 1-butyl-3-[[3-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]quinoxalin-2-yl]diazenyl]indol-2-ol.
What is the SMILES notation for 1-butyl-3-[[3-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]quinoxalin-2-yl]diazenyl]indol-2-ol?
The canonical SMILES for 1-butyl-3-[[3-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]quinoxalin-2-yl]diazenyl]indol-2-ol is CCCCn1c(O)c(/N=N/c2nc3ccccc3nc2/N=N/c2c(O)n(CCCC)c3ccccc23)c2ccccc21.
What is the InChIKey of 1-butyl-3-[[3-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]quinoxalin-2-yl]diazenyl]indol-2-ol?
The InChIKey is BVIBANSMDWOMIR-ATXIYDNESA-N. The full InChI is InChI=1S/C32H32N8O2/c1-3-5-19-39-25-17-11-7-13-21(25)27(31(39)41)35-37-29-30(34-24-16-10-9-15-23(24)33-29)38-36-28-22-14-8-12-18-26(22)40(32(28)42)20-6-4-2/h7-18,41-42H,3-6,19-20H2,1-2H3/b37-35+,38-36+.
What are the key properties of 1-butyl-3-[[3-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]quinoxalin-2-yl]diazenyl]indol-2-ol?
1-butyl-3-[[3-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]quinoxalin-2-yl]diazenyl]indol-2-ol has a molecular weight of 560.66 g/mol, XLogP of 9.38, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[[3-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]quinoxalin-2-yl]diazenyl]indol-2-ol is sourced from PubChem (CID 135687000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).