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

Systemtic Name: N'-(pyren-1-ylmethyl)-N-[3-(pyren-1-ylmethylamino)propyl]propane-1,3-diamine Openeye Name: N'-(pyren-1-ylmethyl)-N-[3-(pyren-1-ylmethylamino)propyl]propane-1,3-diamine CAS Name: N'-(1-pyrenylmethyl)-N-[3-(1-pyrenylmethylamino)propyl]propane-1,3-diamine IUPAC Name: N'-(pyren-1-ylmethyl)-N-[3-(pyren-1-ylmethylamino)propyl]propane-1,3-diamine Traditional Name: bis[3-(pyren-1-ylmethylamino)propyl]amine Formula: C40H37N3 MolecularWeight: 559.74188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CNCCCNCCCNCC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CNCCCNCCCNCC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5

InChI

InChI=1S/C40H37N3/c1-5-27-9-11-31-13-15-33(35-19-17-29(7-1)37(27)39(31)35)25-42-23-3-21-41-22-4-24-43-26-34-16-14-32-12-10-28-6-2-8-30-18-20-36(34)40(32)38(28)30/h1-2,5-20,41-43H,3-4,21-26H2