2-phenyl-5,10,15,20-tetrakis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin

Systemtic Name: 2-phenyl-5,10,15,20-tetrakis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin Openeye Name: 2-phenyl-5,10,15,20-tetrakis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin CAS Name: 2-phenyl-5,10,15,20-tetrakis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin IUPAC Name: 2-phenyl-5,10,15,20-tetrakis(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetramesityl-2-phenyl-21,22-dihydroporphine Formula: C62H58N4 MolecularWeight: 859.15072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=CC(=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C(C=C(C=C7C)C)C)C8=C(C=C(C=C8C)C)C)C9=CC=CC=C9)C1=C(C=C(C=C1C)C)C)N3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=CC(=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C(C=C(C=C7C)C)C)C8=C(C=C(C=C8C)C)C)C9=CC=CC=C9)C1=C(C=C(C=C1C)C)C)N3)C

InChI

InChI=1S/C62H58N4/c1-33-24-37(5)54(38(6)25-33)58-47-18-19-48(63-47)59(55-39(7)26-34(2)27-40(55)8)50-22-23-52(65-50)61(57-43(11)30-36(4)31-44(57)12)62-46(45-16-14-13-15-17-45)32-53(66-62)60(51-21-20-49(58)64-51)56-41(9)28-35(3)29-42(56)10/h13-32,64,66H,1-12H3