1,3,5-tris(3,5-dimethylphenyl)adamantane

Systemtic Name: 1,3,5-tris(3,5-dimethylphenyl)adamantane Openeye Name: 1,3,5-tris(3,5-dimethylphenyl)adamantane CAS Name: 1,3,5-tris(3,5-dimethylphenyl)adamantane IUPAC Name: 1,3,5-tris(3,5-dimethylphenyl)adamantane Traditional Name: 1,3,5-tris(3,5-dimethylphenyl)adamantane Formula: C34H40 MolecularWeight: 448.6814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C23CC4CC(C2)(CC(C4)(C3)C5=CC(=CC(=C5)C)C)C6=CC(=CC(=C6)C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C23CC4CC(C2)(CC(C4)(C3)C5=CC(=CC(=C5)C)C)C6=CC(=CC(=C6)C)C)C

InChI

InChI=1S/C34H40/c1-22-7-23(2)11-29(10-22)32-16-28-17-33(19-32,30-12-24(3)8-25(4)13-30)21-34(18-28,20-32)31-14-26(5)9-27(6)15-31/h7-15,28H,16-21H2,1-6H3