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

Systemtic Name: 1,3-bis(4-azidophenyl)-5,7-bis(4-iodophenyl)adamantane Openeye Name: 1,3-bis(4-azidophenyl)-5,7-bis(4-iodophenyl)adamantane CAS Name: 1,3-bis(4-azidophenyl)-5,7-bis(4-iodophenyl)adamantane IUPAC Name: 1,3-bis(4-azidophenyl)-5,7-bis(4-iodophenyl)adamantane Traditional Name: 1,3-bis(4-azidophenyl)-5,7-bis(4-iodophenyl)adamantane Formula: C34H28I2N6 MolecularWeight: 774.43526

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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)I)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)I)C7=CC=C(C=C7)N=[N+]=[N-]

InChI

InChI=1S/C34H28I2N6/c35-27-9-1-23(2-10-27)31-17-32(24-3-11-28(36)12-4-24)20-33(18-31,25-5-13-29(14-6-25)39-41-37)22-34(19-31,21-32)26-7-15-30(16-8-26)40-42-38/h1-16H,17-22H2