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2,4,6-tri(pyren-1-yl)-1,3,5-triazine

2,4,6-tri(pyren-1-yl)-1,3,5-triazine

Systemtic Name:2,4,6-tri(pyren-1-yl)-1,3,5-triazine
Openeye Name:2,4,6-tri(pyren-1-yl)-1,3,5-triazine
CAS Name:2,4,6-tris(1-pyrenyl)-1,3,5-triazine
IUPAC Name:2,4,6-tri(pyren-1-yl)-1,3,5-triazine
Traditional Name:2,4,6-tri(pyren-1-yl)-s-triazine
Formula: C51H27N3
MolecularWeight: 681.78018
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C5=NC(=NC(=N5)C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1


Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C5=NC(=NC(=N5)C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1


InChI

InChI=1S/C51H27N3/c1-4-28-10-13-34-19-25-40(37-22-16-31(7-1)43(28)46(34)37)49-52-50(41-26-20-35-14-11-29-5-2-8-32-17-23-38(41)47(35)44(29)32)54-51(53-49)42-27-21-36-15-12-30-6-3-9-33-18-24-39(42)48(36)45(30)33/h1-27H


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