Chem
J-GLOBAL ID：201507077927286270   Nikkaji number：J3.373.218J

7,8-(7-Methylnaphthalene-1,8-diyl)-15,16-(7-methylnaphthalene-1,8-diyl)-1,9-dimethyl-7,15-diphospha-7,15-dihydrodibenzo[de,op]pentacene 7,15-disulfide

7,8-(7-メチルナフタレン-1,8-ジイル)-15,16-(7-メチルナフタレン-1,8-ジイル)-1,9-ジメチル-7,15-ジホスファ-7,15-ジヒドロジベンゾ[de,op]ペンタセン7,15-ジスルフィド
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： C50H32[P+]2[S-]2
Molecular formula furigana： C50-H32-P2-S2
Molecular weight： 758.870
InChI： InChI=1S/C50H32P2S2/c1-25-17-21-29-9-5-13-33-41(29)37(25)45-46-38-26(2)18-22-30-10-7-15-35(42(30)38)52(54)36-16-8-12-32-24-20-28(4)40(44(32)36)48(50(46)52)47-39-27(3)19-23-31-11-6-14-34(43(31)39)51(33,53)49(45)47/h5-24H,1-4H3
InChI key： NFPGQYZCOATYJB-UHFFFAOYSA-N
SMILES： Cc1ccc2cccc3c2c1c1c2c4c(C)ccc5cccc(c45)[P+]4([S-])c5cccc6ccc(C)c(c(c7c8c(C)ccc9cccc(c89)[P+]3([S-])c17)c24)c56
Systematic name  (3)：
  • 7,8-(7-メチルナフタレン-1,8-ジイル)-15,16-(7-メチルナフタレン-1,8-ジイル)-1,9-ジメチル-7,15-ジホスファ-7,15-ジヒドロジベンゾ[de,op]ペンタセン7,15-ジスルフィド
  • {4,20,25,41-テトラメチル-33-スルファニジル-12,33-ジホスファトリデカシクロ[21.19.1.12,12.13,7.113,17.124,28.134,38.033,43.011,48.021,46.022,47.032,45.042,44]オクタテトラコンタ-1,3(48),4,6,8,10,13,15,17,19,21(46),22(47),23(43),24,26,28,30,32(45),34,36,38,40,42(44)-トリコサエン-12,33-ジイウム-12-イル}スルファニド
  • {4,20,25,41-tetramethyl-33-sulfanidyl-12,33-diphosphatridecacyclo[21.19.1.12,12.13,7.113,17.124,28.134,38.033,43.011,48.021,46.022,47.032,45.042,44]octatetraconta-1,3(48),4,6,8,10,13,15,17,19,21(46),22(47),23(43),24,26,28,30,32(45),34,36,38,40,42(44)-tricosaene-12,33-diium-12-yl}sulfanide
Other name (1)：
  • 7,8-(7-Methylnaphthalene-1,8-diyl)-15,16-(7-methylnaphthalene-1,8-diyl)-1,9-dimethyl-7,15-diphospha-7,15-dihydrodibenzo[de,op]pentacene 7,15-disulfide
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