2-[9-[2-(2-ethynylphenyl)ethynyl]-1-methyl-indeno[2,1-c][1,5,2]diazaborinin-3-yl]benzenecarbonitrile

Systemtic Name: 2-[9-[2-(2-ethynylphenyl)ethynyl]-1-methyl-indeno[2,1-c][1,5,2]diazaborinin-3-yl]benzenecarbonitrile Openeye Name: 2-[9-[2-(2-ethynylphenyl)ethynyl]-1-methyl-indeno[2,1-c][1,5,2]diazaborinin-3-yl]benzonitrile CAS Name: 2-[9-[2-(2-ethynylphenyl)ethynyl]-1-methyl-3-indeno[2,1-c][1,5,2]diazaborinyl]benzonitrile IUPAC Name: 2-[9-[2-(2-ethynylphenyl)ethynyl]-1-methylindeno[2,1-c][1,5,2]diazaborinin-3-yl]benzonitrile Traditional Name: 2-[9-[2-(2-ethynylphenyl)ethynyl]-1-methyl-indeno[2,1-c][1,5,2]diazaborin-3-yl]benzonitrile Formula: C28H16BN3 MolecularWeight: 405.25774

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Descriptors Computed from Structure

Canonical SMILES:

B1(C2=C(C3=CC=CC=C3C2=NC(=N1)C4=CC=CC=C4C#N)C#CC5=CC=CC=C5C#C)C

Isomeric SMILES

B1(C2=C(C3=CC=CC=C3C2=NC(=N1)C4=CC=CC=C4C#N)C#CC5=CC=CC=C5C#C)C

InChI

InChI=1S/C28H16BN3/c1-3-19-10-4-5-11-20(19)16-17-24-23-14-8-9-15-25(23)27-26(24)29(2)32-28(31-27)22-13-7-6-12-21(22)18-30/h1,4-15H,2H3