1,3,5,7-tetrakis(4-phenylphenyl)adamantane

Systemtic Name: 1,3,5,7-tetrakis(4-phenylphenyl)adamantane Openeye Name: 1,3,5,7-tetrakis(4-phenylphenyl)adamantane CAS Name: 1,3,5,7-tetrakis(4-phenylphenyl)adamantane IUPAC Name: 1,3,5,7-tetrakis(4-phenylphenyl)adamantane Traditional Name: 1,3,5,7-tetrakis(4-phenylphenyl)adamantane Formula: C58H48 MolecularWeight: 745.00172

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Descriptors Computed from Structure

Canonical SMILES:

C1C2(CC3(CC1(CC(C2)(C3)C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C7=CC=CC=C7)C8=CC=C(C=C8)C9=CC=CC=C9)C1=CC=C(C=C1)C1=CC=CC=C1

Isomeric SMILES

C1C2(CC3(CC1(CC(C2)(C3)C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C7=CC=CC=C7)C8=CC=C(C=C8)C9=CC=CC=C9)C1=CC=C(C=C1)C1=CC=CC=C1

InChI

InChI=1S/C58H48/c1-5-13-43(14-6-1)47-21-29-51(30-22-47)55-37-56(52-31-23-48(24-32-52)44-15-7-2-8-16-44)40-57(38-55,53-33-25-49(26-34-53)45-17-9-3-10-18-45)42-58(39-55,41-56)54-35-27-50(28-36-54)46-19-11-4-12-20-46/h1-36H,37-42H2