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

Systemtic Name: 3,10-ditert-butyl-5,6,12,13-tetrakis(4-tert-butylphenyl)naphtho[1,2-b]phenanthrene Openeye Name: 3,10-ditert-butyl-5,6,12,13-tetrakis(4-tert-butylphenyl)naphtho[1,2-b]phenanthrene CAS Name: 3,10-ditert-butyl-5,6,12,13-tetrakis(4-tert-butylphenyl)naphtho[1,2-b]phenanthrene IUPAC Name: 3,10-ditert-butyl-5,6,12,13-tetrakis(4-tert-butylphenyl)naphtho[1,2-b]phenanthrene Traditional Name: 3,10-ditert-butyl-5,6,12,13-tetrakis(4-tert-butylphenyl)naphtho[1,2-b]phenanthrene Formula: C70H78 MolecularWeight: 919.36832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C3=C(C=CC(=C3)C(C)(C)C)C4=CC5=C(C(=C6C=C(C=CC6=C5C=C42)C(C)(C)C)C7=CC=C(C=C7)C(C)(C)C)C8=CC=C(C=C8)C(C)(C)C)C9=CC=C(C=C9)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C3=C(C=CC(=C3)C(C)(C)C)C4=CC5=C(C(=C6C=C(C=CC6=C5C=C42)C(C)(C)C)C7=CC=C(C=C7)C(C)(C)C)C8=CC=C(C=C8)C(C)(C)C)C9=CC=C(C=C9)C(C)(C)C

InChI

InChI=1S/C70H78/c1-65(2,3)47-27-19-43(20-28-47)61-57-39-51(69(13,14)15)35-37-53(57)55-42-60-56(41-59(55)63(61)45-23-31-49(32-24-45)67(7,8)9)54-38-36-52(70(16,17)18)40-58(54)62(44-21-29-48(30-22-44)66(4,5)6)64(60)46-25-33-50(34-26-46)68(10,11)12/h19-42H,1-18H3