10-(3,5-ditert-butylphenyl)-15-(4-ethynylphenyl)-3,3-dimethyl-22,24-dihydro-2H-porphyrin

Systemtic Name: 10-(3,5-ditert-butylphenyl)-15-(4-ethynylphenyl)-3,3-dimethyl-22,24-dihydro-2H-porphyrin Openeye Name: 10-(3,5-ditert-butylphenyl)-15-(4-ethynylphenyl)-3,3-dimethyl-22,24-dihydro-2H-porphyrin CAS Name: 10-(3,5-ditert-butylphenyl)-15-(4-ethynylphenyl)-3,3-dimethyl-22,24-dihydro-2H-porphyrin IUPAC Name: 10-(3,5-ditert-butylphenyl)-15-(4-ethynylphenyl)-3,3-dimethyl-22,24-dihydro-2H-porphyrin Traditional Name: 10-(3,5-ditert-butylphenyl)-15-(4-ethynylphenyl)-3,3-dimethyl-22,24-dihydro-2H-porphine Formula: C44H44N4 MolecularWeight: 629.839615

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=NC1=CC3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C2)N5)C6=CC=C(C=C6)C#C)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C

Isomeric SMILES

CC1(CC2=N[13C]1=CC3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C2)N5)C6=CC=C(C=C6)C#C)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C

InChI

InChI=1S/C44H44N4/c1-10-27-11-13-28(14-12-27)40-35-17-15-32(45-35)24-34-26-44(8,9)39(47-34)25-33-16-18-36(46-33)41(38-20-19-37(40)48-38)29-21-30(42(2,3)4)23-31(22-29)43(5,6)7/h1,11-25,45-46H,26H2,2-9H3/i39+1