1,3,5-tris(4-azidophenyl)-7-(4-iodophenyl)adamantane

Systemtic Name: 1,3,5-tris(4-azidophenyl)-7-(4-iodophenyl)adamantane Openeye Name: 1,3,5-tris(4-azidophenyl)-7-(4-iodophenyl)adamantane CAS Name: 1,3,5-tris(4-azidophenyl)-7-(4-iodophenyl)adamantane IUPAC Name: 1,3,5-tris(4-azidophenyl)-7-(4-iodophenyl)adamantane Traditional Name: 1,3,5-tris(4-azidophenyl)-7-(4-iodophenyl)adamantane Formula: C34H28IN9 MolecularWeight: 689.55089

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Descriptors Computed from Structure

Canonical SMILES:

C1C2(CC3(CC1(CC(C2)(C3)C4=CC=C(C=C4)I)C5=CC=C(C=C5)N=[N+]=[N-])C6=CC=C(C=C6)N=[N+]=[N-])C7=CC=C(C=C7)N=[N+]=[N-]

Isomeric SMILES

C1C2(CC3(CC1(CC(C2)(C3)C4=CC=C(C=C4)I)C5=CC=C(C=C5)N=[N+]=[N-])C6=CC=C(C=C6)N=[N+]=[N-])C7=CC=C(C=C7)N=[N+]=[N-]

InChI

InChI=1S/C34H28IN9/c35-27-9-1-23(2-10-27)31-17-32(24-3-11-28(12-4-24)39-42-36)20-33(18-31,25-5-13-29(14-6-25)40-43-37)22-34(19-31,21-32)26-7-15-30(16-8-26)41-44-38/h1-16H,17-22H2