5,6-[(2,8,12,18-テトラブチル-3,7,13,17-テトラメチル-21H,23H-ポルフィリン-5,15-ジイル)ビス[(ビフェニル-3,3′-ジイル)(2,8,12,18-テトラブチル-3,7,13,17-テトラメチル-21H,23H-ポルフィリン-5,15-ジイル)(p-フェニレン)エチニレン]]イソインドリン-1,3-ジオン

5,6-[(2,8,12,18-Tetrabutyl-3,7,13,17-tetramethyl-21H,23H-porphyrin-5,15-diyl)bis[(biphenyl-3,3′-diyl)(2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-21H,23H-porphyrin-5,15-diyl)(p-phenylene)ethynylene]]isoindoline-1,3-dione

構造情報あり
分子式： C₁₆₈H₁₈₃N₁₃O₂
分子式フリガナ： C168-H183-N13-O2
分子量： 2416.401

InChI： InChI=1S/C168H183N13O2/c1-25-37-61-123-97(13)155-149-111-79-73-109(74-80-111)77-83-117-89-135-136(168(183)181-167(135)182)90-118(117)84-78-110-75-81-112(82-76-110)150-157-99(15)125(63-39-27-3)139(171-157)93-143-129(67-43-31-7)103(19)161(175-143)152(162-104(20)130(68-44-32-8)144(176-162)94-140-126(64-40-28-4)100(16)158(150)172-140)120-58-50-54-114(86-120)116-56-52-60-122(88-116)154-165-107(23)133(71-47-35-11)147(179-165)95-145-131(69-45-33-9)105(21)163(177-145)153(164-106(22)132(70-46-34-10)146(178-164)96-148-134(72-48-36-12)108(24)166(154)180-148)121-59-51-55-115(87-121)113-53-49-57-119(85-113)151(159-101(17)127(65-41-29-5)141(173-159)91-137(123)169-155)160-102(18)128(66-42-30-6)142(174-160)92-138-124(62-38-26-2)98(14)156(149)170-138/h49-60,73-76,79-82,85-96,169,171,174,176-177,180H,25-48,61-72H2,1-24H3,(H,181,182,183)/b137-91-,138-92-,139-93?,140-94?,141-91?,142-92?,143-93-,144-94-,145-95-,146-96-,147-95?,148-96?,155-149-,156-149?,157-150?,158-150-,159-151-,160-151?,161-152?,162-152-,163-153-,164-153?,165-154-,166-154?

InChI key： HDARUTSDVNRPKC-XWYBHJFYSA-N

SMILES： CCCCC1=C(C)C2=NC1=Cc1[nH]c(c(C)c1CCCC)C1=C3N=C(C=c4[nH]c(=C2c2ccc(C#Cc5c(C#Cc6ccc(C7=C8N=C(C=c9[nH]c(=C(c%10cccc(c%11cccc(C%12=C%13N=C(C=c%14[nH]c(=C(c%15cccc(c%16cccc1c%16)c%15)C1=NC(=Cc%15[nH]c%12c(C)c%15CCCC)C(=C1C)CCCC)c(C)c%14CCCC)C(=C%13C)CCCC)c%11)c%10)C1=NC(=Cc%10[nH]c7c(C)c%10CCCC)C(=C1C)CCCC)c(C)c9CCCC)C(=C8C)CCCC)cc6)cc1C(=O)NC(=O)c1c5)cc2)c(c4CCCC)C)C(=C3C)CCCC

体系名 (3件)：

5,6-[(2,8,12,18-テトラブチル-3,7,13,17-テトラメチル-21H,23H-ポルフィリン-5,15-ジイル)ビス[(ビフェニル-3,3′-ジイル)(2,8,12,18-テトラブチル-3,7,13,17-テトラメチル-21H,23H-ポルフィリン-5,15-ジイル)(p-フェニレン)エチニレン]]イソインドリン-1,3-ジオン
26,30,47,51,68,72,77,81,92,96,105,109-ドデカブチル-25,31,46,52,67,73,76,82,91,97,104,110-ドデカメチル-12,84,85,86,87,99,100,112,113,118,119,120,121-トリデカアザテトラコサシクロ[63.9.9.9^23,33.9^44,54.2^2,5.2^19,22.1^24,27.1^29,32.1^34,38.1^39,43.1^45,48.1^50,53.1^55,59.1^60,64.1^66,69.1^71,74.1^75,78.1^80,83.0^8,16.0^10,14.1^90,93.1^95,98.1^103,106.1^108,111]121nea-1(74),2,4,8,10(14),15,19,21,23,25,27,29(112),30,32,34,36,38(102),39,41,43(101),44,46,48,50(99),51,53,55,57,59(89),60,62,64(88),65,67,69,71(86),72,75,77,79,81,83,90,92,94,96,98(120),103,105,107,109,111(118),114,116-テトラペンタコンタエン-6,17-ジイン-11,13-ジオン
26,30,47,51,68,72,77,81,92,96,105,109-dodecabutyl-25,31,46,52,67,73,76,82,91,97,104,110-dodecamethyl-12,84,85,86,87,99,100,112,113,118,119,120,121-tridecaazatetracosacyclo[63.9.9.9^23,33.9^44,54.2^2,5.2^19,22.1^24,27.1^29,32.1^34,38.1^39,43.1^45,48.1^50,53.1^55,59.1^60,64.1^66,69.1^71,74.1^75,78.1^80,83.0^8,16.0^10,14.1^90,93.1^95,98.1^103,106.1^108,111]121nea-1(74),2,4,8,10(14),15,19,21,23,25,27,29(112),30,32,34,36,38(102),39,41,43(101),44,46,48,50(99),51,53,55,57,59(89),60,62,64(88),65,67,69,71(86),72,75,77,79,81,83,90,92,94,96,98(120),103,105,107,109,111(118),114,116-tetrapentacontaen-6,17-diyne-11,13-dione

その他の名称 (1件)：

5,6-[(2,8,12,18-Tetrabutyl-3,7,13,17-tetramethyl-21H,23H-porphyrin-5,15-diyl)bis[(biphenyl-3,3′-diyl)(2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-21H,23H-porphyrin-5,15-diyl)(p-phenylene)ethynylene]]isoindoline-1,3-dione

シソーラスmap：

シソーラスmap

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