Chem
J-GLOBAL ID：202007008859765725
Nikkaji number：J3.749.626J
2,7,12,17-テトラキス(4-メトキシフェニル)-24-(フェニルスルファニル)-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(20),2,4,6(24),7,9,11,13(22),14,16,18-ウンデカエン
2,7,12,17-テトラキス(4-メトキシフェニル)-24-(フェニルスルファニル)-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(20),2,4,6(24),7,9,11,13(22),14,16,18-ウンデカエン
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
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
Molecular formula： C54H42N4O4S
Molecular formula furigana： C54-H42-N4-O4-S
Molecular weight： 843.010
InChI：
InChI=1S/C54H42N4O4S/c1-59-37-18-10-33(11-19-37)49-42-32-55-53(54(42)63-41-8-6-5-7-9-41)52(36-16-24-40(62-4)25-17-36)48-31-30-47(58-48)51(35-14-22-39(61-3)23-15-35)46-29-28-45(57-46)50(44-27-26-43(49)56-44)34-12-20-38(60-2)21-13-34/h5-32,56,58H,1-4H3/b49-42-,49-43-,50-44-,50-45-,51-46-,51-47-,52-48-,53-52+
InChI key：
ODPCMIZAZLSOKZ-WFZRSPGYSA-N
SMILES：
N1=CC2=C(/C/1=C(/c1ccc(cc1)OC)\c1ccc([nH]1)/C(=C\1/C=CC(=N1)/C(=c\1/cc/c(=C/2\c2ccc(cc2)OC)/[nH]1)/c1ccc(cc1)OC)/c1ccc(cc1)OC)Sc1ccccc1
Systematic name (2)：
- 2,7,12,17-テトラキス(4-メトキシフェニル)-24-(フェニルスルファニル)-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(20),2,4,6(24),7,9,11,13(22),14,16,18-ウンデカエン
- 2,7,12,17-tetrakis(4-methoxyphenyl)-24-(phenylsulfanyl)-4,21,22,23-tetraazapentacyclo[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
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