1,8-bis(anthracen-9-ylmethyl)-1,4,8,11-tetrazacyclotetradecane

Systemtic Name: 1,8-bis(anthracen-9-ylmethyl)-1,4,8,11-tetrazacyclotetradecane Openeye Name: 1,8-bis(9-anthrylmethyl)-1,4,8,11-tetrazacyclotetradecane CAS Name: 1,8-bis(9-anthracenylmethyl)-1,4,8,11-tetrazacyclotetradecane IUPAC Name: 1,8-bis(anthracen-9-ylmethyl)-1,4,8,11-tetrazacyclotetradecane Traditional Name: 1,8-bis(9-anthrylmethyl)-1,4,8,11-tetrazacyclotetradecane Formula: C40H44N4 MolecularWeight: 580.80416

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(CCCNCCN(C1)CC2=C3C=CC=CC3=CC4=CC=CC=C42)CC5=C6C=CC=CC6=CC7=CC=CC=C75

Isomeric SMILES

C1CNCCN(CCCNCCN(C1)CC2=C3C=CC=CC3=CC4=CC=CC=C42)CC5=C6C=CC=CC6=CC7=CC=CC=C75

InChI

InChI=1S/C40H44N4/c1-5-15-35-31(11-1)27-32-12-2-6-16-36(32)39(35)29-43-23-9-19-42-22-26-44(24-10-20-41-21-25-43)30-40-37-17-7-3-13-33(37)28-34-14-4-8-18-38(34)40/h1-8,11-18,27-28,41-42H,9-10,19-26,29-30H2