2,3,7,8,12,13,17,18-Octaethylporphyrin

• CAS: 2683-82-1
• Catalog Number: ACM2683821
• Category: Organic & Printed Electronics
• Molecular Weight: 534.792g/mol
• Molecular Formula: C36H46N4
• Synonyms: CHEBI:52183; C-23122; DTXSID2062589; 2683-82-1; 2,3,7,8,12,13,17,18-Octaethyl-21H,23H-porphin; SCHEMBL37749; SCHEMBL1614478; FT-0082151; FT-0602009; 21H,23H-Porphine, 2,3,7,8,12,13,17,18-octaethyl-
• IUPAC Name: 2,3,7,8,12,13,17,18-octaethyl-21,22-dihydroporphyrin
• Canonical SMILES: CCC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)CC)CC)C(=C4CC)CC)C(=C3CC)CC)CC
• InChI: InChI=1S/C36H46N4/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/h17-20,37-38H,9-16H2,1-8H3
• InChI Key: XFIIGRBIXXECHR-UHFFFAOYSA-N
• Storage: -20°C
• Complexity: 725
• Covalently-Bonded Unit Count: 1
• EC Number: 220-243-8
• Exact Mass: 534.372g/mol
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 40
• Monoisotopic Mass: 534.372g/mol
• Rotatable Bond Count: 8
• Topological Polar Surface Area: 57.4A^2