Chem
J-GLOBAL ID:201507093037814550   Nikkaji number:J3.367.586K

5,20-Diphenyl-10,15-bis(pentafluorophenyl)-21-thia-21H,23H-porphyrin

5,20-ジフェニル-10,15-ビス(ペンタフルオロフェニル)-21-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: C44H19F10N3S
Molecular formula furigana: C44-H19-F10-N3-S
Molecular weight: 811.700
InChI: InChI=1S/C44H19F10N3S/c45-35-33(36(46)40(50)43(53)39(35)49)31-23-13-11-21(55-23)29(19-7-3-1-4-8-19)27-17-18-28(58-27)30(20-9-5-2-6-10-20)22-12-14-24(56-22)32(26-16-15-25(31)57-26)34-37(47)41(51)44(54)42(52)38(34)48/h1-18,57H/b29-21-,29-27-,30-22-,30-28-,31-23+,31-25+,32-24+,32-26+
InChI key: GDCRSFAQEFLAOZ-AJAHLLKYSA-N
SMILES: Fc1c(F)c(F)c(c(F)c1F)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccccc1)s4)/c1ccccc1)/C=C3)\c1c(F)c(F)c(F)c(F)c1F)/[nH]2
Systematic name  (3):
  • 5,20-ジフェニル-10,15-ビス(ペンタフルオロフェニル)-21-チア-21H,23H-ポルフィリン
  • 7,12-ビス(2,3,4,5,6-ペンタフルオロフェニル)-2,17-ジフェニル-21-チア-22,23,24-トリアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1(20),2,4,6(24),7,9,11,13(22),14,16,18-ウンデカエン
  • 7,12-bis(2,3,4,5,6-pentafluorophenyl)-2,17-diphenyl-21-thia-22,23,24-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaene
Other name (1):
  • 5,20-Diphenyl-10,15-bis(pentafluorophenyl)-21-thia-21H,23H-porphyrin
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