5,10,15,20-Tetraphenyl-21H,23H-porphine zinc, 95%

• Catalog Number: ACM14074807
• Product Name: 5,10,15,20-Tetraphenyl-21H,23H-porphine zinc, 95%
• CAS: 14074-80-7
• Category: Organic & Printed Electronics
• IUPAC Name: zinc;5,10,15,20-tetraphenylporphyrin-22,24-diide
• Molecular Weight: 678.116g/mol
• Molecular Formula: C44H28N4Zn
• Canonical SMILES: C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.[Zn+2]
• InChI: InChI=1S/C44H28N4.Zn/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28H;/q-2;+2
• InChI Key: XPVVGUHKLPZAEN-UHFFFAOYSA-N
• Complexity: 1330
• Covalently-Bonded Unit Count: 2
• Exact Mass: 676.161g/mol
• H-Bond Acceptor: 4
• Heavy Atom Count: 49
• Monoisotopic Mass: 676.161g/mol
• Rotatable Bond Count: 4
• Topological Polar Surface Area: 26.7A^2