4-[4-(4-cyanophenyl)-8,9-dimethyl-5,6,7,10,11,12-hexakis-phenyl-tetracen-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-(4-cyanophenyl)-8,9-dimethyl-5,6,7,10,11,12-hexakis-phenyl-tetracen-1-yl]benzenecarbonitrile Openeye Name: 4-[4-(4-cyanophenyl)-8,9-dimethyl-5,6,7,10,11,12-hexakis-phenyl-tetracen-1-yl]benzonitrile CAS Name: 4-[4-(4-cyanophenyl)-8,9-dimethyl-5,6,7,10,11,12-hexakis-phenyl-1-tetracenyl]benzonitrile IUPAC Name: 4-[4-(4-cyanophenyl)-8,9-dimethyl-5,6,7,10,11,12-hexakis-phenyltetracen-1-yl]benzonitrile Traditional Name: 4-[4-(4-cyanophenyl)-8,9-dimethyl-5,6,7,10,11,12-hexakis-phenyl-tetracen-1-yl]benzonitrile Formula: C70H46N2 MolecularWeight: 915.12764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C3=C(C4=C(C=CC(=C4C(=C3C(=C2C(=C1C)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=C(C=C8)C#N)C9=CC=C(C=C9)C#N)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1

Isomeric SMILES

CC1=C(C2=C(C3=C(C4=C(C=CC(=C4C(=C3C(=C2C(=C1C)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=C(C=C8)C#N)C9=CC=C(C=C9)C#N)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1

InChI

InChI=1S/C70H46N2/c1-45-46(2)60(52-23-11-4-12-24-52)68-64(56-31-19-8-20-32-56)70-62(54-27-15-6-16-28-54)66-58(50-39-35-48(44-72)36-40-50)42-41-57(49-37-33-47(43-71)34-38-49)65(66)61(53-25-13-5-14-26-53)69(70)63(55-29-17-7-18-30-55)67(68)59(45)51-21-9-3-10-22-51/h3-42H,1-2H3