5-(4-aminophenyl)-2,3-diphenylquinoxalin-6-amine

C26H20N4 — CID 174507699

IUPAC5-(4-aminophenyl)-2,3-diphenylquinoxalin-6-amine
SMILESNc1ccc(-c2c(N)ccc3nc(-c4ccccc4)c(-c4ccccc4)nc23)cc1
InChIInChI=1S/C26H20N4/c27-20-13-11-17(12-14-20)23-21(28)15-16-22-26(23)30-25(19-9-5-2-6-10-19)24(29-22)18-7-3-1-4-8-18/h1-16H,27-28H2
InChIKeyOCUJUHOCJGTPRG-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.80
Rot. Bonds3

About 5-(4-aminophenyl)-2,3-diphenylquinoxalin-6-amine

5-(4-aminophenyl)-2,3-diphenylquinoxalin-6-amine (PubChem CID 174507699) has the molecular formula C26H20N4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 5-(4-aminophenyl)-2,3-diphenylquinoxalin-6-amine.

Molecular Properties

Compound Name5-(4-aminophenyl)-2,3-diphenylquinoxalin-6-amine
PubChem CID174507699
Molecular FormulaC26H20N4
Molecular Weight388.47 g/mol
Exact Mass388.17
IUPAC Name5-(4-aminophenyl)-2,3-diphenylquinoxalin-6-amine
SMILESNc1ccc(-c2c(N)ccc3nc(-c4ccccc4)c(-c4ccccc4)nc23)cc1
InChIInChI=1S/C26H20N4/c27-20-13-11-17(12-14-20)23-21(28)15-16-22-26(23)30-25(19-9-5-2-6-10-19)24(29-22)18-7-3-1-4-8-18/h1-16H,27-28H2
InChIKeyOCUJUHOCJGTPRG-UHFFFAOYSA-N
XLogP5.80
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)-2,3-diphenylquinoxalin-6-amine?
The IUPAC name of 5-(4-aminophenyl)-2,3-diphenylquinoxalin-6-amine (CID 174507699) is 5-(4-aminophenyl)-2,3-diphenylquinoxalin-6-amine.
What is the SMILES notation for 5-(4-aminophenyl)-2,3-diphenylquinoxalin-6-amine?
The canonical SMILES for 5-(4-aminophenyl)-2,3-diphenylquinoxalin-6-amine is Nc1ccc(-c2c(N)ccc3nc(-c4ccccc4)c(-c4ccccc4)nc23)cc1.
What is the InChIKey of 5-(4-aminophenyl)-2,3-diphenylquinoxalin-6-amine?
The InChIKey is OCUJUHOCJGTPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4/c27-20-13-11-17(12-14-20)23-21(28)15-16-22-26(23)30-25(19-9-5-2-6-10-19)24(29-22)18-7-3-1-4-8-18/h1-16H,27-28H2.
What are the key properties of 5-(4-aminophenyl)-2,3-diphenylquinoxalin-6-amine?
5-(4-aminophenyl)-2,3-diphenylquinoxalin-6-amine has a molecular weight of 388.47 g/mol, XLogP of 5.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)-2,3-diphenylquinoxalin-6-amine is sourced from PubChem (CID 174507699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).