物質
J-GLOBAL ID：200907078634790330   日化辞番号：J2.633.919G

2,18′′-(2,5-チオフェンジイル)-2′′,18′-(2,5-チオフェンジイル)-2′,18-(2,5-チオフェンジイル)トリス[5,10,15-トリス(3,5-ジ-tert-ブチルフェニル)-21H,23H-ポルフィリン]

2,18′′-(2,5-Thiophenediyl)-2′′,18′-(2,5-thiophenediyl)-2′,18-(2,5-thiophenediyl)tris[5,10,15-tris(3,5-di-tert-butylphenyl)-21H,23H-porphyrin]
物質タイプ：
物質タイプ
物質タイプは以下の３種類に大別されています。
構造情報あり：構造が明確な物質
構造不確定等：構造が不明または未定の物質
混合物等：混合物、ラセミ化合物や、相対立体配置をもつ化合物等
構造情報あり
分子式： C198H222N12S3
分子式フリガナ： C198-H222-N12-S3
分子量： 2866.220
InChI： InChI=1S/C198H222N12S3/c1-181(2,3)118-73-109(74-119(91-118)182(4,5)6)172-142-55-61-148(199-142)175(112-79-124(187(19,20)21)94-125(80-112)188(22,23)24)160-100-136-154(205-160)106-155-137(101-161(206-155)176(149-62-56-143(172)200-149)113-81-126(189(25,26)27)95-127(82-113)190(28,29)30)167-68-70-169(212-167)139-103-163-178(115-85-130(193(37,38)39)97-131(86-115)194(40,41)42)151-64-58-145(202-151)174(111-77-122(185(13,14)15)93-123(78-111)186(16,17)18)147-60-66-153(204-147)180(117-89-134(197(49,50)51)99-135(90-117)198(52,53)54)165-105-141(159(210-165)108-157(139)208-163)171-72-71-170(213-171)140-104-164-179(116-87-132(195(43,44)45)98-133(88-116)196(46,47)48)152-65-59-146(203-152)173(110-75-120(183(7,8)9)92-121(76-110)184(10,11)12)144-57-63-150(201-144)177(114-83-128(191(31,32)33)96-129(84-114)192(34,35)36)162-102-138(168-69-67-166(136)211-168)156(207-162)107-158(140)209-164/h55-108,199,202-203,206-207,210H,1-54H3/b154-106?,155-106-,156-107-,157-108?,158-107?,159-108-,166-136-,167-137-,168-138+,169-139-,170-140+,171-141+,172-142?,172-143-,173-144-,173-146?,174-145?,174-147-,175-148?,175-160-,176-149?,176-161-,177-150?,177-162-,178-151?,178-163-,179-152?,179-164-,180-153?,180-165-
InChI key： IZNBXSVHTUFLAQ-VOYYOMRESA-N
SMILES： CC(C)(C)c1cc(cc(c1)C(C)(C)C)C1=c2ccc(=C(C3=NC4=Cc5c(cc(C(=C6C=CC1=N6)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)[nH]5)c1ccc(s1)C1=CC5=NC1=Cc1[nH]c(cc1c1ccc(s1)C1=CC6=NC1=Cc1[nH]c(cc1c1ccc(s1)C4=C3)C(=C1C=CC(=N1)C(=c1ccc(=C6c3cc(cc(c3)C(C)(C)C)C(C)(C)C)[nH]1)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)C(=C1C=CC(=N1)C(=c1ccc(=C5c3cc(cc(c3)C(C)(C)C)C(C)(C)C)[nH]1)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)[nH]2
体系名 (3件)：
  • 2,18′′-(2,5-チオフェンジイル)-2′′,18′-(2,5-チオフェンジイル)-2′,18-(2,5-チオフェンジイル)トリス[5,10,15-トリス(3,5-ジ-tert-ブチルフェニル)-21H,23H-ポルフィリン]
  • 4,9,14,29,34,39,52,57,62-ノナキス(3,5-ジ-tert-ブチルフェニル)-71,77,83-トリチア-27,41,50,64,74,75,80,81,84,85,86,87-ドデカアザノナデカシクロ[15.3.50.13,20.15,8.110,13.115,18.121,24.125,28.126,42.130,33.135,38.140,43.144,47.148,51.149,65.153,56.158,61.163,66.167,70]ヘプタオクタコンタ-1,3(84),4,6,8,10(86),11,13,15,17,19,21,23,25,28(82),29,31,33(81),34,36,38,40,42(79),43(78),44,46,48,51(76),52,54,56(75),57,59,61,63,65(73),66(72),67,69-ノナトリアコンタエン
  • 4,9,14,29,34,39,52,57,62-nonakis(3,5-di-tert-butylphenyl)-71,77,83-trithia-27,41,50,64,74,75,80,81,84,85,86,87-dodecaazanonadecacyclo[15.3.50.13,20.15,8.110,13.115,18.121,24.125,28.126,42.130,33.135,38.140,43.144,47.148,51.149,65.153,56.158,61.163,66.167,70]heptaoctaconta-1,3(84),4,6,8,10(86),11,13,15,17,19,21,23,25,28(82),29,31,33(81),34,36,38,40,42(79),43(78),44,46,48,51(76),52,54,56(75),57,59,61,63,65(73),66(72),67,69-nonatriacontaene
その他の名称 (1件)：
  • 2,18′′-(2,5-Thiophenediyl)-2′′,18′-(2,5-thiophenediyl)-2′,18-(2,5-thiophenediyl)tris[5,10,15-tris(3,5-di-tert-butylphenyl)-21H,23H-porphyrin]
シソーラスmap：
シソーラスmap

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