3,10-ditert-butyl-5,12-bis(4-tert-butylphenyl)-6,13-dinaphthalen-1-yl-naphtho[1,2-b]phenanthrene

Systemtic Name: 3,10-ditert-butyl-5,12-bis(4-tert-butylphenyl)-6,13-dinaphthalen-1-yl-naphtho[1,2-b]phenanthrene Openeye Name: 3,10-ditert-butyl-5,12-bis(4-tert-butylphenyl)-6,13-bis(1-naphthyl)naphtho[1,2-b]phenanthrene CAS Name: 3,10-ditert-butyl-5,12-bis(4-tert-butylphenyl)-6,13-bis(1-naphthalenyl)naphtho[1,2-b]phenanthrene IUPAC Name: 3,10-ditert-butyl-5,12-bis(4-tert-butylphenyl)-6,13-dinaphthalen-1-ylnaphtho[1,2-b]phenanthrene Traditional Name: 3,10-ditert-butyl-5,12-bis(4-tert-butylphenyl)-6,13-bis(1-naphthyl)naphtho[1,2-b]phenanthrene Formula: C70H66 MolecularWeight: 907.27304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C3=CC4=C5C=CC(=CC5=C(C(=C4C=C3C6=C2C=C(C=C6)C(C)(C)C)C7=CC=CC8=CC=CC=C87)C9=CC=C(C=C9)C(C)(C)C)C(C)(C)C)C1=CC=CC2=CC=CC=C21

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C3=CC4=C5C=CC(=CC5=C(C(=C4C=C3C6=C2C=C(C=C6)C(C)(C)C)C7=CC=CC8=CC=CC=C87)C9=CC=C(C=C9)C(C)(C)C)C(C)(C)C)C1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C70H66/c1-67(2,3)47-31-27-45(28-32-47)63-59-39-49(69(7,8)9)35-37-53(59)57-42-62-58(41-61(57)65(63)55-25-17-21-43-19-13-15-23-51(43)55)54-38-36-50(70(10,11)12)40-60(54)64(46-29-33-48(34-30-46)68(4,5)6)66(62)56-26-18-22-44-20-14-16-24-52(44)56/h13-42H,1-12H3