N23,N24-bis(3,5-dipentylphenyl)henpentaconta-21,25-diyne-23,24-diimine

Systemtic Name: N23,N24-bis(3,5-dipentylphenyl)henpentaconta-21,25-diyne-23,24-diimine Openeye Name: N23,N24-bis(3,5-dipentylphenyl)henpentaconta-21,25-diyne-23,24-diimine CAS Name: N23,N24-bis(3,5-dipentylphenyl)henpentaconta-21,25-diyne-23,24-diimine IUPAC Name: 23-N,24-N-bis(3,5-dipentylphenyl)henpentaconta-21,25-diyne-23,24-diimine Traditional Name: (3,5-diamylphenyl)-[1-[N-(3,5-diamylphenyl)-C-docos-1-ynyl-carbonimidoyl]octacos-2-ynylidene]amine Formula: C83H142N2 MolecularWeight: 1168.02898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCC#CC(=NC1=CC(=CC(=C1)CCCCC)CCCCC)C(=NC2=CC(=CC(=C2)CCCCC)CCCCC)C#CCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCC#CC(=NC1=CC(=CC(=C1)CCCCC)CCCCC)C(=NC2=CC(=CC(=C2)CCCCC)CCCCC)C#CCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C83H142N2/c1-7-13-19-21-23-25-27-29-31-33-35-37-38-39-40-41-43-45-47-49-51-53-55-57-63-69-83(85-81-74-78(66-60-17-11-5)71-79(75-81)67-61-18-12-6)82(84-80-72-76(64-58-15-9-3)70-77(73-80)65-59-16-10-4)68-62-56-54-52-50-48-46-44-42-36-34-32-30-28-26-24-22-20-14-8-2/h70-75H,7-61,64-67H2,1-6H3