5,10,15,20-Tetrakis(2,4,6-trimethylphenyl)porphyrin

• Catalog Number: ACM56396124-3
• Product Name: 5,10,15,20-Tetrakis(2,4,6-trimethylphenyl)porphyrin
• CAS: 56396-12-4
• Category: Heterocyclic Organic Compound
• Synonyms: meso-Tetra(2,4,6-trimethylphenyl)porphyrin
• IUPAC Name: 5,10,15,20-tetrakis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin
• Molecular Weight: 783.05
• Molecular Formula: C56H54N4
• Canonical SMILES: CC1=CC(=C(C(=C1)C)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=C(C=C(C=C7C)C)C)C8=C(C=C(C=C8C)C)C)C=C4)C9=C(C=C(C=C9C)C)C)N3)C
• InChI: KBIOUJDBIXSYJT-UHFFFAOYSA-N
• InChI Key: InChI=1S/C56H54N4/c1-29-21-33(5)49(34(6)22-29)53-41-13-15-43(57-41)54(50-35(7)23-30(2)24-36(50)8)45-17-19-47(59-45)56(52-39(11)27-32(4)28-40(52)12)48-20-18-46(60-48)55(44-16-14-42(53)58-44)51-37(9)25-31(3)26-38(51)10/h13-28,57,60H,1-12H3
• Complexity: 1160
• Covalently-Bonded Unit Count: 1
• Exact Mass: 782.43484774
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 60
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 2
• Monoisotopic Mass: 782.43484774
• Rotatable Bond Count: 4
• Topological Polar Surface Area: 57.4 Ų