2-tert-butyl-4-(7-tert-butyl-2-methyl-phenanthren-4-yl)-7-methyl-pyrene

Systemtic Name: 2-tert-butyl-4-(7-tert-butyl-2-methyl-phenanthren-4-yl)-7-methyl-pyrene Openeye Name: 2-tert-butyl-4-(7-tert-butyl-2-methyl-4-phenanthryl)-7-methyl-pyrene CAS Name: 2-tert-butyl-4-(7-tert-butyl-2-methyl-4-phenanthrenyl)-7-methylpyrene IUPAC Name: 2-tert-butyl-4-(7-tert-butyl-2-methylphenanthren-4-yl)-7-methylpyrene Traditional Name: 2-tert-butyl-4-(7-tert-butyl-2-methyl-4-phenanthryl)-7-methyl-pyrene Formula: C40H38 MolecularWeight: 518.72972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C3C=C(C=C4C3=C2C(=C1)C=C4)C(C)(C)C)C5=C6C(=CC(=C5)C)C=CC7=C6C=CC(=C7)C(C)(C)C

Isomeric SMILES

CC1=CC2=CC(=C3C=C(C=C4C3=C2C(=C1)C=C4)C(C)(C)C)C5=C6C(=CC(=C5)C)C=CC7=C6C=CC(=C7)C(C)(C)C

InChI

InChI=1S/C40H38/c1-23-15-26-11-12-28-20-31(40(6,7)8)22-35-33(21-29(17-23)36(26)38(28)35)34-18-24(2)16-27-10-9-25-19-30(39(3,4)5)13-14-32(25)37(27)34/h9-22H,1-8H3