2,4,6-tris(4-anthracen-9-ylphenyl)-5-isocyano-benzene-1,3-dicarbonitrile

Systemtic Name: 2,4,6-tris(4-anthracen-9-ylphenyl)-5-isocyano-benzene-1,3-dicarbonitrile Openeye Name: 2,4,6-tris[4-(9-anthryl)phenyl]-5-isocyano-benzene-1,3-dicarbonitrile CAS Name: 2,4,6-tris[4-(9-anthracenyl)phenyl]-5-isocyanobenzene-1,3-dicarbonitrile IUPAC Name: 2,4,6-tris(4-anthracen-9-ylphenyl)-5-isocyanobenzene-1,3-dicarbonitrile Traditional Name: 2,4,6-tris[4-(9-anthryl)phenyl]-5-isocyano-isophthalonitrile Formula: C69H39N3 MolecularWeight: 910.06806

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=C(C(=C(C(=C1C2=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)C#N)C1=CC=C(C=C1)C1=C2C=CC=CC2=CC2=CC=CC=C21

Isomeric SMILES

[C-]#[N+]C1=C(C(=C(C(=C1C2=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)C#N)C1=CC=C(C=C1)C1=C2C=CC=CC2=CC2=CC=CC=C21

InChI

InChI=1S/C69H39N3/c1-72-69-67(47-34-30-44(31-35-47)64-57-22-10-4-16-51(57)39-52-17-5-11-23-58(52)64)61(41-70)66(46-28-26-43(27-29-46)63-55-20-8-2-14-49(55)38-50-15-3-9-21-56(50)63)62(42-71)68(69)48-36-32-45(33-37-48)65-59-24-12-6-18-53(59)40-54-19-7-13-25-60(54)65/h2-40H