N-(phenylmethyl)-N'-(pyren-1-ylmethyl)hexane-1,6-diamine

Systemtic Name: N-(phenylmethyl)-N'-(pyren-1-ylmethyl)hexane-1,6-diamine Openeye Name: N-benzyl-N'-(pyren-1-ylmethyl)hexane-1,6-diamine CAS Name: N-(phenylmethyl)-N'-(1-pyrenylmethyl)hexane-1,6-diamine IUPAC Name: N-benzyl-N'-(pyren-1-ylmethyl)hexane-1,6-diamine Traditional Name: benzyl-[6-(pyren-1-ylmethylamino)hexyl]amine Formula: C30H32N2 MolecularWeight: 420.58848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCCCCCCNCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

C1=CC=C(C=C1)CNCCCCCCNCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C30H32N2/c1(6-19-31-21-23-9-4-3-5-10-23)2-7-20-32-22-27-16-15-26-14-13-24-11-8-12-25-17-18-28(27)30(26)29(24)25/h3-5,8-18,31-32H,1-2,6-7,19-22H2