N9,N10-bis(3,5-dipentylphenyl)hentriacont-11-yne-9,10-diimine

Systemtic Name: N9,N10-bis(3,5-dipentylphenyl)hentriacont-11-yne-9,10-diimine Openeye Name: N9,N10-bis(3,5-dipentylphenyl)hentriacont-11-yne-9,10-diimine CAS Name: N9,N10-bis(3,5-dipentylphenyl)-11-hentriacontyne-9,10-diimine IUPAC Name: 9-N,10-N-bis(3,5-dipentylphenyl)hentriacont-11-yne-9,10-diimine Traditional Name: (3,5-diamylphenyl)-[2-(3,5-diamylphenyl)imino-1-octyl-tricos-3-ynylidene]amine Formula: C63H106N2 MolecularWeight: 891.52914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC#CC(=NC1=CC(=CC(=C1)CCCCC)CCCCC)C(=NC2=CC(=CC(=C2)CCCCC)CCCCC)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC#CC(=NC1=CC(=CC(=C1)CCCCC)CCCCC)C(=NC2=CC(=CC(=C2)CCCCC)CCCCC)CCCCCCCC

InChI

InChI=1S/C63H106N2/c1-7-13-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-37-43-49-63(65-61-54-58(46-40-17-11-5)51-59(55-61)47-41-18-12-6)62(48-42-36-22-20-14-8-2)64-60-52-56(44-38-15-9-3)50-57(53-60)45-39-16-10-4/h50-55H,7-42,44-48H2,1-6H3