15-ethynyl-5,10,20-tris(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin

Systemtic Name: 15-ethynyl-5,10,20-tris(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin Openeye Name: 15-ethynyl-5,10,20-tris(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin CAS Name: 15-ethynyl-5,10,20-tris(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin IUPAC Name: 15-ethynyl-5,10,20-tris(2,4,6-trimethylphenyl)-21,22-dihydroporphyrin Traditional Name: 15-ethynyl-5,10,20-trimesityl-21,22-dihydroporphine Formula: C49H44N4 MolecularWeight: 688.90046

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)C#C)C7=C(C=C(C=C7C)C)C)C8=C(C=C(C=C8C)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)C#C)C7=C(C=C(C=C7C)C)C)C8=C(C=C(C=C8C)C)C)N3)C

InChI

InChI=1S/C49H44N4/c1-11-35-36-12-14-38(50-36)47(44-29(5)20-26(2)21-30(44)6)40-16-18-42(52-40)49(46-33(9)24-28(4)25-34(46)10)43-19-17-41(53-43)48(39-15-13-37(35)51-39)45-31(7)22-27(3)23-32(45)8/h1,12-25,52-53H,2-10H3