N5,N6-bis(2-tricos-4-ynylphenyl)pentatriacont-7-yne-5,6-diimine

Systemtic Name: N5,N6-bis(2-tricos-4-ynylphenyl)pentatriacont-7-yne-5,6-diimine Openeye Name: N5,N6-bis(2-tricos-4-ynylphenyl)pentatriacont-7-yne-5,6-diimine CAS Name: N5,N6-bis(2-tricos-4-ynylphenyl)-7-pentatriacontyne-5,6-diimine IUPAC Name: 5-N,6-N-bis(2-tricos-4-ynylphenyl)pentatriacont-7-yne-5,6-diimine Traditional Name: 1-[C-butyl-N-(2-tricos-4-ynylphenyl)carbonimidoyl]triacont-2-ynylidene-(2-tricos-4-ynylphenyl)amine Formula: C93H158N2 MolecularWeight: 1304.26302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCC#CC(=NC1=CC=CC=C1CCCC#CCCCCCCCCCCCCCCCCCC)C(=NC2=CC=CC=C2CCCC#CCCCCCCCCCCCCCCCCCC)CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCC#CC(=NC1=CC=CC=C1CCCC#CCCCCCCCCCCCCCCCCCC)C(=NC2=CC=CC=C2CCCC#CCCCCCCCCCCCCCCCCCC)CCCC

InChI

InChI=1S/C93H158N2/c1-5-9-13-16-19-22-25-28-31-34-37-40-41-42-43-44-45-48-51-54-57-60-63-66-69-72-75-87-93(95-91-86-79-77-83-89(91)81-74-71-68-65-62-59-56-53-50-47-39-36-33-30-27-24-21-18-15-11-7-3)92(84-12-8-4)94-90-85-78-76-82-88(90)80-73-70-67-64-61-58-55-52-49-46-38-35-32-29-26-23-20-17-14-10-6-2/h76-79,82-83,85-86H,5-63,66,69-74,80-81,84H2,1-4H3