Chem
J-GLOBAL ID：201407016818959595   Nikkaji number：J3.252.501F

5,15-Bis(4-tert-butylphenyl)-10,20-bis[4-[6-[4-(azidomethyl)benzylaminio]hexyloxy]phenyl]-21H,23H-porphyrin

5,15-ビス(4-tert-ブチルフェニル)-10,20-ビス[4-[6-[4-(アジドメチル)ベンジルアミニオ]ヘキシルオキシ]フェニル]-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： C80H88N6[N-]2[N+]4O2
Molecular formula furigana： C80-H88-N12-O2
Molecular weight： 1249.665
InChI： InChI=1S/C80H86N12O2/c1-79(2,3)63-31-23-59(24-32-63)75-67-39-43-71(87-67)77(61-27-35-65(36-28-61)93-49-13-9-7-11-47-83-51-55-15-19-57(20-16-55)53-85-91-81)73-45-41-69(89-73)76(60-25-33-64(34-26-60)80(4,5)6)70-42-46-74(90-70)78(72-44-40-68(75)88-72)62-29-37-66(38-30-62)94-50-14-10-8-12-48-84-52-56-17-21-58(22-18-56)54-86-92-82/h15-46,83-84,87,90H,7-14,47-54H2,1-6H3/p+2/b75-67-,75-68-,76-69-,76-70-,77-71-,77-73-,78-72-,78-74-
InChI key： YNUMYJNVUBNRNS-YRKOLFHISA-P
SMILES： CC(C)(C)c1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccc(OCCCCCC[NH2+]Cc5ccc(CN=[N+]=[N-])cc5)cc1)[nH]4)/c1ccc(cc1)C(C)(C)C)/C=C3)\c1ccc(OCCCCCC[NH2+]Cc3ccc(CN=[N+]=[N-])cc3)cc1)/[nH]2
Systematic name  (3)：
  • 5,15-ビス(4-tert-ブチルフェニル)-10,20-ビス[4-[6-[4-(アジドメチル)ベンジルアミニオ]ヘキシルオキシ]フェニル]-21H,23H-ポルフィリン
  • {[4-(アジドメチル)フェニル]メチル}(6-{4-[12-(4-{[6-({[4-(アジドメチル)フェニル]メチル}アザニウミル)ヘキシル]オキシ}フェニル)-7,17-ビス(4-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-イル]フェノキシ}ヘキシル)アザニウム
  • {[4-(azidomethyl)phenyl]methyl}(6-{4-[12-(4-{[6-({[4-(azidomethyl)phenyl]methyl}azaniumyl)hexyl]oxy}phenyl)-7,17-bis(4-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-undecaen-2-yl]phenoxy}hexyl)azanium
Other name (1)：
  • 5,15-Bis(4-tert-butylphenyl)-10,20-bis[4-[6-[4-(azidomethyl)benzylaminio]hexyloxy]phenyl]-21H,23H-porphyrin
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