Chem
J-GLOBAL ID:202007001498479167
Nikkaji number:J3.749.628F
(1Z,7Z,12Z,16Z)-2,7,12,17-テトラフェニル-24-(ピリジン-2-スルホニル)-4,21,22,23-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
(1Z,7Z,12Z,16Z)-2,7,12,17-テトラフェニル-24-(ピリジン-2-スルホニル)-4,21,22,23-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
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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:
C49 H33 N5 O2 S
Molecular formula furigana:
C49-H33-N5-O2-S
Molecular weight:
755.900
InChI:
InChI=1S/C49H33N5O2S/c55-57(56,43-23-13-14-30-50-43)49-36-31-51-48(49)47(35-21-11-4-12-22-35)42-29-28-41(54-42)46(34-19-9-3-10-20-34)40-27-26-39(53-40)45(33-17-7-2-8-18-33)38-25-24-37(52-38)44(36)32-15-5-1-6-16-32/h1-31,49,53H/b44-36-,44-37-,45-38-,45-39-,46-40-,46-41-,47-42-,48-47+
InChI key:
RHFWWXPZRGJPQX-XXWYQDMXSA-N
SMILES:
N1=C2C(C(=C1)/C(=C\1/C=CC(=N1)/C(=c\1/cc/c(=C(/C3=N/C(=C\2/c2ccccc2)/C=C3)\c2ccccc2)/[nH]1)/c1ccccc1)/c1ccccc1)S(=O)(=O)c1ncccc1
Systematic name (2):
(1Z,7Z,12Z,16Z)-2,7,12,17-テトラフェニル-24-(ピリジン-2-スルホニル)-4,21,22,23-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
(1Z,7Z,12Z,16Z)-2,7,12,17-tetraphenyl-24-(pyridine-2-sulfonyl)-4,21,22,23-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
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