3-[3,4-bis(3-cyanoazulen-1-yl)phenyl]azulene-1-carbonitrile

Systemtic Name: 3-[3,4-bis(3-cyanoazulen-1-yl)phenyl]azulene-1-carbonitrile Openeye Name: 3-[3,4-bis(3-cyanoazulen-1-yl)phenyl]azulene-1-carbonitrile CAS Name: 3-[3,4-bis(3-cyano-1-azulenyl)phenyl]-1-azulenecarbonitrile IUPAC Name: 3-[3,4-bis(3-cyanoazulen-1-yl)phenyl]azulene-1-carbonitrile Traditional Name: 3-[3,4-bis(3-cyanoazulen-1-yl)phenyl]azulene-1-carbonitrile Formula: C39H21N3 MolecularWeight: 531.60414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C(C=C2C#N)C3=CC(=C(C=C3)C4=C5C=CC=CC=C5C(=C4)C#N)C6=C7C=CC=CC=C7C(=C6)C#N)C=C1

Isomeric SMILES

C1=CC=C2C(=C(C=C2C#N)C3=CC(=C(C=C3)C4=C5C=CC=CC=C5C(=C4)C#N)C6=C7C=CC=CC=C7C(=C6)C#N)C=C1

InChI

InChI=1S/C39H21N3/c40-22-26-19-36(32-13-7-1-4-10-29(26)32)25-16-17-35(37-20-27(23-41)30-11-5-2-8-14-33(30)37)38(18-25)39-21-28(24-42)31-12-6-3-9-15-34(31)39/h1-21H