1,8-bis(pyren-1-ylmethyl)-1,4,8,11-tetrazacyclotetradecane

Systemtic Name: 1,8-bis(pyren-1-ylmethyl)-1,4,8,11-tetrazacyclotetradecane Openeye Name: 1,8-bis(pyren-1-ylmethyl)-1,4,8,11-tetrazacyclotetradecane CAS Name: 1,8-bis(1-pyrenylmethyl)-1,4,8,11-tetrazacyclotetradecane IUPAC Name: 1,8-bis(pyren-1-ylmethyl)-1,4,8,11-tetrazacyclotetradecane Traditional Name: 1,8-bis(pyren-1-ylmethyl)-1,4,8,11-tetrazacyclotetradecane Formula: C44H44N4 MolecularWeight: 628.84696

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(CCCNCCN(C1)CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)CC6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6

Isomeric SMILES

C1CNCCN(CCCNCCN(C1)CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)CC6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6

InChI

InChI=1S/C44H44N4/c1-5-31-9-11-35-13-15-37(39-19-17-33(7-1)41(31)43(35)39)29-47-25-3-21-46-24-28-48(26-4-22-45-23-27-47)30-38-16-14-36-12-10-32-6-2-8-34-18-20-40(38)44(36)42(32)34/h1-2,5-20,45-46H,3-4,21-30H2