4-[2,3-bis[4-(2-phenylethynyl)phenyl]quinoxalin-5-yl]oxyaniline

Systemtic Name: 4-[2,3-bis[4-(2-phenylethynyl)phenyl]quinoxalin-5-yl]oxyaniline Openeye Name: 4-[2,3-bis[4-(2-phenylethynyl)phenyl]quinoxalin-5-yl]oxyaniline CAS Name: 4-[[2,3-bis[4-(2-phenylethynyl)phenyl]-5-quinoxalinyl]oxy]aniline IUPAC Name: 4-[2,3-bis[4-(2-phenylethynyl)phenyl]quinoxalin-5-yl]oxyaniline Traditional Name: [4-[2,3-bis[4-(2-phenylethynyl)phenyl]quinoxalin-5-yl]oxyphenyl]amine Formula: C42H27N3O MolecularWeight: 589.68328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=NC4=C(C(=CC=C4)OC5=CC=C(C=C5)N)N=C3C6=CC=C(C=C6)C#CC7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C3=NC4=C(C(=CC=C4)OC5=CC=C(C=C5)N)N=C3C6=CC=C(C=C6)C#CC7=CC=CC=C7

InChI

InChI=1S/C42H27N3O/c43-36-26-28-37(29-27-36)46-39-13-7-12-38-42(39)45-41(35-24-20-33(21-25-35)17-15-31-10-5-2-6-11-31)40(44-38)34-22-18-32(19-23-34)16-14-30-8-3-1-4-9-30/h1-13,18-29H,43H2