2,5-bis(4-anthracen-9-ylphenyl)-4-isocyano-benzenecarbonitrile

Systemtic Name: 2,5-bis(4-anthracen-9-ylphenyl)-4-isocyano-benzenecarbonitrile Openeye Name: 2,5-bis[4-(9-anthryl)phenyl]-4-isocyano-benzonitrile CAS Name: 2,5-bis[4-(9-anthracenyl)phenyl]-4-isocyanobenzonitrile IUPAC Name: 2,5-bis(4-anthracen-9-ylphenyl)-4-isocyanobenzonitrile Traditional Name: 2,5-bis[4-(9-anthryl)phenyl]-4-isocyano-benzonitrile Formula: C48H28N2 MolecularWeight: 632.74932

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=C(C=C(C(=C1)C2=CC=C(C=C2)C3=C4C=CC=CC4=CC5=CC=CC=C53)C#N)C6=CC=C(C=C6)C7=C8C=CC=CC8=CC9=CC=CC=C97

Isomeric SMILES

[C-]#[N+]C1=C(C=C(C(=C1)C2=CC=C(C=C2)C3=C4C=CC=CC4=CC5=CC=CC=C53)C#N)C6=CC=C(C=C6)C7=C8C=CC=CC8=CC9=CC=CC=C97

InChI

InChI=1S/C48H28N2/c1-50-46-29-44(31-18-22-33(23-19-31)47-40-14-6-2-10-35(40)26-36-11-3-7-15-41(36)47)39(30-49)28-45(46)32-20-24-34(25-21-32)48-42-16-8-4-12-37(42)27-38-13-5-9-17-43(38)48/h2-29H