2,7-ditert-butyl-4-(2,7-ditert-butylphenanthren-4-yl)pyrene

Systemtic Name: 2,7-ditert-butyl-4-(2,7-ditert-butylphenanthren-4-yl)pyrene Openeye Name: 2,7-ditert-butyl-4-(2,7-ditert-butyl-4-phenanthryl)pyrene CAS Name: 2,7-ditert-butyl-4-(2,7-ditert-butyl-4-phenanthrenyl)pyrene IUPAC Name: 2,7-ditert-butyl-4-(2,7-ditert-butylphenanthren-4-yl)pyrene Traditional Name: 2,7-ditert-butyl-4-(2,7-ditert-butyl-4-phenanthryl)pyrene Formula: C46H50 MolecularWeight: 602.8892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)C3=C(C=C(C=C3C=C2)C(C)(C)C)C4=C5C=C(C=C6C5=C7C(=CC(=CC7=C4)C(C)(C)C)C=C6)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)C3=C(C=C(C=C3C=C2)C(C)(C)C)C4=C5C=C(C=C6C5=C7C(=CC(=CC7=C4)C(C)(C)C)C=C6)C(C)(C)C

InChI

InChI=1S/C46H50/c1-43(2,3)32-17-18-36-27(19-32)13-14-29-21-34(45(7,8)9)25-38(41(29)36)37-24-31-23-33(44(4,5)6)20-28-15-16-30-22-35(46(10,11)12)26-39(37)42(30)40(28)31/h13-26H,1-12H3