| CAS Number | 210769-64-5 |
| Catalog Number | AG00C345(AGN-PC-0QXJS9) |
| Chemical Name | Pentamethylene Bis[4-(10,15,20-triphenylporphyrin-5-yl)benzoate]dizinc(II) [Reagent for application of the exciton chirality method] |
| IUPAC Name | dizinc;5-[4-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)benzoyl]oxypentyl 4-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)benzoate |
| InChI | InChI=1S/C95H66N8O4.2Zn/c104-94(68-38-34-66(35-39-68)92-82-54-50-78(100-82)88(62-26-12-3-13-27-62)74-46-42-70(96-74)86(60-22-8-1-9-23-60)71-43-47-75(97-71)89(63-28-14-4-15-29-63)79-51-55-83(92)101-79)106-58-20-7-21-59-107-95(105)69-40-36-67(37-41-69)93-84-56-52-80(102-84)90(64-30-16-5-17-31-64)76-48-44-72(98-76)87(61-24-10-2-11-25-61)73-45-49-77(99-73)91(65-32-18-6-19-33-65)81-53-57-85(93)103-81;;/h1-6,8-19,22-57H,7,20-21,58-59H2,(H2-2,96,97,98,99,100,101,102,103,104,105);;/q-2;2*+2/p-2 |
| InChI Key | NBWTUFLOLJEGJZ-UHFFFAOYSA-L |
| MDL Number | MFCD02093489 |
| Molecular Formula | C95H64N8O4Zn2 |
| Molecular Weight | 1512.3359 |
| SMILES | O=C(OCCCCCOC(C1=CC=C(/C2=C3C=CC(/C(C4=CC=CC=C4)=C5C=C/C([N-]/5)=C(C6=CC=CC=C6)/C(C=C/7)=NC7=C(C8=CC=CC=C8)/C9=CC=C2[N-]9)=N3)C=C1)=O)C%10=CC=C(/C%11=C%12C=CC(/C(C%13=CC=CC=C%13)=C%14C=C/C([N-]/%14)=C(C%15=CC=CC=C%15)/C(C=C/%16)=NC%16=C(C%17=CC=CC=C%17)/C%18=CC=C%11[N-]%18)=N\%12)C=C%10.[Zn+2].[Zn+2] |
| Synonyms | Pentamethylene Bis[4-(10,15,20-triphenylporphin-5-yl)benzoate]dizinc(II),
Pentamethylene Bis[4-(10,15,20-triphenylporphyrin-5-yl)benzoate]dizinc(II),
210769-64-5,
CTK8G2305,
P1364,
1,5-Bis[4-(10,15,20-triphenylporphyrin-5-yl)benzoyloxy]pentane Dizinc(II),
|
| Complexity | 2450 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 1511.364g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 109 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 1512.369g/mol |
| Monoisotopic Mass | 1508.363g/mol |
| Rotatable Bond Count | 18 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number