2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphine cobalt(II)

• CAS: 17632-19-8
• Catalog Number: ACM17632198-2
• Category: Organic & Printed Electronics
• Molecular Weight: 591.7
• Molecular Formula: C36H44CoN4
• Synonyms: Cobalt(II) 2-3-7-8-12-13-17-18-(octaethyl)porphyrin
• IUPAC Name: cobalt(2+);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide
• Canonical SMILES: CCC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)CC)CC)CC)CC)C(=C3CC)CC)CC.[Co+2]
• InChI: InChI=1S/C36H44N4.Co/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;/h17-20H,9-16H2,1-8H3;/q-2;+2
• InChI Key: CILRATIHXSICFS-UHFFFAOYSA-N
• Complexity: 1150
• Covalently-Bonded Unit Count: 2
• Exact Mass: 591.289791
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 41
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 0
• Monoisotopic Mass: 591.289791
• Rotatable Bond Count: 8
• Topological Polar Surface Area: 26.7 Ų