N'-(pyren-1-ylmethyl)-N-[2-(pyren-1-ylmethylamino)ethyl]propane-1,3-diamine

Systemtic Name: N'-(pyren-1-ylmethyl)-N-[2-(pyren-1-ylmethylamino)ethyl]propane-1,3-diamine Openeye Name: N'-(pyren-1-ylmethyl)-N-[2-(pyren-1-ylmethylamino)ethyl]propane-1,3-diamine CAS Name: N'-(1-pyrenylmethyl)-N-[2-(1-pyrenylmethylamino)ethyl]propane-1,3-diamine IUPAC Name: N'-(pyren-1-ylmethyl)-N-[2-(pyren-1-ylmethylamino)ethyl]propane-1,3-diamine Traditional Name: pyren-1-ylmethyl-[3-[2-(pyren-1-ylmethylamino)ethylamino]propyl]amine Formula: C39H35N3 MolecularWeight: 545.7153

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CNCCCNCCNCC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CNCCCNCCNCC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5

InChI

InChI=1S/C39H35N3/c1-4-26-8-10-30-12-14-32(34-18-16-28(6-1)36(26)38(30)34)24-41-21-3-20-40-22-23-42-25-33-15-13-31-11-9-27-5-2-7-29-17-19-35(33)39(31)37(27)29/h1-2,4-19,40-42H,3,20-25H2