4-pyren-1-yl-N-[[3-[(4-pyren-1-ylbutylamino)methyl]phenyl]methyl]butan-1-amine

Systemtic Name: 4-pyren-1-yl-N-[[3-[(4-pyren-1-ylbutylamino)methyl]phenyl]methyl]butan-1-amine Openeye Name: 4-pyren-1-yl-N-[[3-[(4-pyren-1-ylbutylamino)methyl]phenyl]methyl]butan-1-amine CAS Name: 4-(1-pyrenyl)-N-[[3-[[4-(1-pyrenyl)butylamino]methyl]phenyl]methyl]-1-butanamine IUPAC Name: 4-pyren-1-yl-N-[[3-[(4-pyren-1-ylbutylamino)methyl]phenyl]methyl]butan-1-amine Traditional Name: 4-pyren-1-ylbutyl-[3-[(4-pyren-1-ylbutylamino)methyl]benzyl]amine Formula: C48H44N2 MolecularWeight: 648.87636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCCNCC5=CC(=CC=C5)CNCCCCC6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCCNCC5=CC(=CC=C5)CNCCCCC6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6

InChI

InChI=1S/C48H44N2/c1(10-35-16-18-41-22-20-37-12-6-14-39-24-26-43(35)47(41)45(37)39)3-28-49-31-33-8-5-9-34(30-33)32-50-29-4-2-11-36-17-19-42-23-21-38-13-7-15-40-25-27-44(36)48(42)46(38)40/h5-9,12-27,30,49-50H,1-4,10-11,28-29,31-32H2