N9,N9,N10,N10-tetrakis[4-(4-ethylphenyl)phenyl]phenanthrene-9,10-diamine

Systemtic Name: N9,N9,N10,N10-tetrakis[4-(4-ethylphenyl)phenyl]phenanthrene-9,10-diamine Openeye Name: N9,N9,N10,N10-tetrakis[4-(4-ethylphenyl)phenyl]phenanthrene-9,10-diamine CAS Name: N9,N9,N10,N10-tetrakis[4-(4-ethylphenyl)phenyl]phenanthrene-9,10-diamine IUPAC Name: 9-N,9-N,10-N,10-N-tetrakis[4-(4-ethylphenyl)phenyl]phenanthrene-9,10-diamine Traditional Name: [10-[4-(4-ethylphenyl)-N-[4-(4-ethylphenyl)phenyl]anilino]-9-phenanthryl]-bis[4-(4-ethylphenyl)phenyl]amine Formula: C70H60N2 MolecularWeight: 929.2388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=C(C=C4)CC)C5=C(C6=CC=CC=C6C7=CC=CC=C75)N(C8=CC=C(C=C8)C9=CC=C(C=C9)CC)C1=CC=C(C=C1)C1=CC=C(C=C1)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=C(C=C4)CC)C5=C(C6=CC=CC=C6C7=CC=CC=C75)N(C8=CC=C(C=C8)C9=CC=C(C=C9)CC)C1=CC=C(C=C1)C1=CC=C(C=C1)CC

InChI

InChI=1S/C70H60N2/c1-5-49-17-25-53(26-18-49)57-33-41-61(42-34-57)71(62-43-35-58(36-44-62)54-27-19-50(6-2)20-28-54)69-67-15-11-9-13-65(67)66-14-10-12-16-68(66)70(69)72(63-45-37-59(38-46-63)55-29-21-51(7-3)22-30-55)64-47-39-60(40-48-64)56-31-23-52(8-4)24-32-56/h9-48H,5-8H2,1-4H3