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

Systemtic Name: N9,N9,N10,N10-tetrakis[4-(4-methoxyphenyl)phenyl]phenanthrene-9,10-diamine Openeye Name: N9,N9,N10,N10-tetrakis[4-(4-methoxyphenyl)phenyl]phenanthrene-9,10-diamine CAS Name: N9,N9,N10,N10-tetrakis[4-(4-methoxyphenyl)phenyl]phenanthrene-9,10-diamine IUPAC Name: 9-N,9-N,10-N,10-N-tetrakis[4-(4-methoxyphenyl)phenyl]phenanthrene-9,10-diamine Traditional Name: [10-[4-(4-methoxyphenyl)-N-[4-(4-methoxyphenyl)phenyl]anilino]-9-phenanthryl]-bis[4-(4-methoxyphenyl)phenyl]amine Formula: C66H52N2O4 MolecularWeight: 937.13008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=C(C=C4)OC)C5=C(C6=CC=CC=C6C7=CC=CC=C75)N(C8=CC=C(C=C8)C9=CC=C(C=C9)OC)C1=CC=C(C=C1)C1=CC=C(C=C1)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=C(C=C4)OC)C5=C(C6=CC=CC=C6C7=CC=CC=C75)N(C8=CC=C(C=C8)C9=CC=C(C=C9)OC)C1=CC=C(C=C1)C1=CC=C(C=C1)OC

InChI

InChI=1S/C66H52N2O4/c1-69-57-37-21-49(22-38-57)45-13-29-53(30-14-45)67(54-31-15-46(16-32-54)50-23-39-58(70-2)40-24-50)65-63-11-7-5-9-61(63)62-10-6-8-12-64(62)66(65)68(55-33-17-47(18-34-55)51-25-41-59(71-3)42-26-51)56-35-19-48(20-36-56)52-27-43-60(72-4)44-28-52/h5-44H,1-4H3