Chem
J-GLOBAL ID：200907023100461811   Nikkaji number：J1.989.270K

2,3,12,13-Tetrabutoxy-7,8-(naphthalene-1,8-diyl)-17,18-(naphthalene-1,8-diyl)-21,23-dithia-21H,23H-porphyrin

2,3,12,13-テトラブトキシ-7,8-(ナフタレン-1,8-ジイル)-17,18-(ナフタレン-1,8-ジイル)-21,23-ジチア-21H,23H-ポルフィリン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C56H52N2O4S2
Molecular formula furigana： C56-H52-N2-O4-S2
Molecular weight： 881.160
InChI： InChI=1S/C56H52N2O4S2/c1-5-9-25-59-53-43-29-39-49-35-21-13-17-33-18-15-23-37(47(33)35)51(49)41(57-39)31-45-55(61-27-11-7-3)56(62-28-12-8-4)46(64-45)32-42-52-38-24-16-20-34-19-14-22-36(48(34)38)50(52)40(58-42)30-44(63-43)54(53)60-26-10-6-2/h13-24,29-32H,5-12,25-28H2,1-4H3/b39-29-,40-30-,41-31-,42-32-,43-29-,44-30-,45-31-,46-32-
InChI key： DFZYALDIWSADSQ-NISYVVIRSA-N
SMILES： CCCCOc1c(OCCCC)c2/C=c/3\nc(/C=c/4\s/c(=C\c5n/c(=C\c1s2)/c1=c5c2cccc5cccc1c25)/c(OCCCC)c4OCCCC)c1=c3c2cccc3cccc1c23
Systematic name  (3)：
  • 2,3,12,13-テトラブトキシ-7,8-(ナフタレン-1,8-ジイル)-17,18-(ナフタレン-1,8-ジイル)-21,23-ジチア-21H,23H-ポルフィリン
  • 4,5,23,24-テトラブトキシ-41,44-ジチア-39,42-ジアザウンデカシクロ[25.11.1.13,6.18,20.110,14.122,25.129,33.09,19.028,38.018,43.037,40]テトラテトラコンタ-1,3,5,7,9(19),10,12,14,16,18(43),20(42),21,23,25,27(39),28(38),29,31,33,35,37(40)-ヘンイコサエン
  • 4,5,23,24-tetrabutoxy-41,44-dithia-39,42-diazaundecacyclo[25.11.1.13,6.18,20.110,14.122,25.129,33.09,19.028,38.018,43.037,40]tetratetraconta-1,3,5,7,9(19),10,12,14,16,18(43),20(42),21,23,25,27(39),28(38),29,31,33,35,37(40)-henicosaene
Other name (1)：
  • 2,3,12,13-Tetrabutoxy-7,8-(naphthalene-1,8-diyl)-17,18-(naphthalene-1,8-diyl)-21,23-dithia-21H,23H-porphyrin
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