| SpectraBase Spectrum ID |
9XI6wuA87zK |
| Name |
2-(2-Hydroxy-3,5-dimethylphenyl)-5,10,15,20-tetraphenylporphyrin |
| Alternate Name(s) |
2,4-dimethyl-6-[2,7,12,17-tetraphenyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-4-yl]phenol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C52H38N4O |
| InChI |
InChI=1S/C52H38N4O/c1-32-29-33(2)52(57)39(30-32)38-31-46-49(36-19-11-5-12-20-36)44-26-25-42(54-44)47(34-15-7-3-8-16-34)40-23-24-41(53-40)48(35-17-9-4-10-18-35)43-27-28-45(55-43)50(51(38)56-46)37-21-13-6-14-22-37/h3-31,53,56-57H,1-2H3/b47-40-,47-42-,48-41-,48-43-,49-44-,49-46-,50-45-,51-50- |
| InChIKey |
OSMFLFXNSSBHHR-ROVQYOBGSA-N |
| Molecular Weight |
734.903 g/mol |
| SMILES |
[nH]1c2c(-c3c(c(cc(c3)C)C)O)cc1c(c1nc(c(c3ccc(c(c4nc(c2-c2ccccc2)cc4)-c2ccccc2)[nH]3)-c2ccccc2)cc1)-c1ccccc1 |
| SPLASH |
splash10-0a4i-0000009500-cc4a061feb6230a17383 |
| Source of Spectrum |
KC-0-3094-17 |
| Wiley ID |
823698 |
