N'-(pyren-1-ylmethyl)-N-[3-(pyren-1-ylmethylamino)propyl]butane-1,4-diamine

Systemtic Name: N'-(pyren-1-ylmethyl)-N-[3-(pyren-1-ylmethylamino)propyl]butane-1,4-diamine Openeye Name: N'-(pyren-1-ylmethyl)-N-[3-(pyren-1-ylmethylamino)propyl]butane-1,4-diamine CAS Name: N'-(1-pyrenylmethyl)-N-[3-(1-pyrenylmethylamino)propyl]butane-1,4-diamine IUPAC Name: N'-(pyren-1-ylmethyl)-N-[3-(pyren-1-ylmethylamino)propyl]butane-1,4-diamine Traditional Name: pyren-1-ylmethyl-[3-[4-(pyren-1-ylmethylamino)butylamino]propyl]amine Formula: C41H39N3 MolecularWeight: 573.76846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CNCCCCNCCCNCC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CNCCCCNCCCNCC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5

InChI

InChI=1S/C41H39N3/c1(2-23-43-26-34-16-14-32-12-10-28-6-3-8-30-18-20-36(34)40(32)38(28)30)22-42-24-5-25-44-27-35-17-15-33-13-11-29-7-4-9-31-19-21-37(35)41(33)39(29)31/h3-4,6-21,42-44H,1-2,5,22-27H2