9,10-bis[1,5-di(azulen-6-yl)penta-1,4-diyn-3-ylidene]anthracene

Systemtic Name: 9,10-bis[1,5-di(azulen-6-yl)penta-1,4-diyn-3-ylidene]anthracene Openeye Name: 9,10-bis[3-azulen-6-yl-1-(2-azulen-6-ylethynyl)prop-2-ynylidene]anthracene CAS Name: 9,10-bis[1,5-bis(6-azulenyl)penta-1,4-diyn-3-ylidene]anthracene IUPAC Name: 9,10-bis[1,5-di(azulen-6-yl)penta-1,4-diyn-3-ylidene]anthracene Traditional Name: 9,10-bis[3-azulen-6-yl-1-(2-azulen-6-ylethynyl)prop-2-ynylidene]anthracene Formula: C64H36 MolecularWeight: 804.97064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C#CC3=CC=C4C=CC=C4C=C3)C#CC5=CC=C6C=CC=C6C=C5)C7=CC=CC=C7C2=C(C#CC8=CC=C9C=CC=C9C=C8)C#CC1=CC=C2C=CC=C2C=C1

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C#CC3=CC=C4C=CC=C4C=C3)C#CC5=CC=C6C=CC=C6C=C5)C7=CC=CC=C7C2=C(C#CC8=CC=C9C=CC=C9C=C8)C#CC1=CC=C2C=CC=C2C=C1

InChI

InChI=1S/C64H36/c1-2-18-60-59(17-1)63(57(41-29-45-21-33-49-9-5-10-50(49)34-22-45)42-30-46-23-35-51-11-6-12-52(51)36-24-46)61-19-3-4-20-62(61)64(60)58(43-31-47-25-37-53-13-7-14-54(53)38-26-47)44-32-48-27-39-55-15-8-16-56(55)40-28-48/h1-28,33-40H