azane; 1,1,2,2,3,3,4,5,6-nonakis-phenylindene

Systemtic Name: azane; 1,1,2,2,3,3,4,5,6-nonakis-phenylindene Openeye Name: ammonia; 1,1,2,2,3,3,4,5,6-nonakis-phenylindane CAS Name: ammonia; 1,1,2,2,3,3,4,5,6-nonakis-phenylindene IUPAC Name: azane; 1,1,2,2,3,3,4,5,6-nonakis-phenylindene Traditional Name: ammonia; 1,1,2,2,3,3,4,5,6-nonakis-phenylindane Formula: C63H52N2 MolecularWeight: 837.10038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C(=C2C4=CC=CC=C4)C5=CC=CC=C5)C(C(C3(C6=CC=CC=C6)C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9)(C1=CC=CC=C1)C1=CC=CC=C1.N.N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C(=C2C4=CC=CC=C4)C5=CC=CC=C5)C(C(C3(C6=CC=CC=C6)C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9)(C1=CC=CC=C1)C1=CC=CC=C1.N.N

InChI

InChI=1S/C63H46.2H3N/c1-10-28-47(29-11-1)56-46-57-60(59(49-32-14-3-15-33-49)58(56)48-30-12-2-13-31-48)62(52-38-20-6-21-39-52,53-40-22-7-23-41-53)63(54-42-24-8-25-43-54,55-44-26-9-27-45-55)61(57,50-34-16-4-17-35-50)51-36-18-5-19-37-51;;/h1-46H;2*1H3