Chem
J-GLOBAL ID:200907050570864740
Nikkaji number:J1.960.358J
5,15-Bis(3,5-di-tert-butylphenyl)-10,20-bis(2-azulenyl)-21H,23H-porphyrin
5,15-ビス(3,5-ジ-tert-ブチルフェニル)-10,20-ビス(2-アズレニル)-21H,23H-ポルフィリン
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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:
C68 H66 N4
Molecular formula furigana:
C68-H66-N4
Molecular weight:
939.304
InChI:
InChI=1S/C68H66N4/c1-65(2,3)49-35-47(36-50(39-49)66(4,5)6)63-57-27-23-53(69-57)61(45-31-41-19-15-13-16-20-42(41)32-45)55-25-29-59(71-55)64(48-37-51(67(7,8)9)40-52(38-48)68(10,11)12)60-30-26-56(72-60)62(54-24-28-58(63)70-54)46-33-43-21-17-14-18-22-44(43)34-46/h13-40,69,72H,1-12H3/b61-53-,61-55-,62-54-,62-56-,63-57-,63-58-,64-59-,64-60-
InChI key:
BHZAMOXVIPWLNW-JBELVHSVSA-N
SMILES:
CC(C)(C)c1cc(cc(c1)C(C)(C)C)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1cc5cccccc5c1)[nH]4)/c1cc(cc(c1)C(C)(C)C)C(C)(C)C)/C=C3)\c1cc3cccccc3c1)/[nH]2
Systematic name (3):
5,15-ビス(3,5-ジ-tert-ブチルフェニル)-10,20-ビス(2-アズレニル)-21H,23H-ポルフィリン
2,12-ビス(アズレン-2-イル)-7,17-ビス(3,5-ジ-tert-ブチルフェニル)-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6 .18,11 .113,16 ]テトラコサ-1,3,5,7,9,11(23),12,14,16,18(21),19-ウンデカエン
2,12-bis(azulen-2-yl)-7,17-bis(3,5-di-tert-butylphenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6 .18,11 .113,16 ]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene
Other name (1):
5,15-Bis(3,5-di-tert-butylphenyl)-10,20-bis(2-azulenyl)-21H,23H-porphyrin
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