5,5′-(1,3-Butadiene-1,4-diyl)bis(2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphyrin)

5,5′-(1,3-ブタジエン-1,4-ジイル)ビス(2,3,7,8,12,13,17,18-オクタエチル-21H,23H-ポルフィリン)

Decided structure
Molecular formula： C₇₆H₉₄N₈
Molecular formula furigana： C76-H94-N8
Molecular weight： 1119.644

InChI： InChI=1S/C76H94N8/c1-17-43-47(21-5)65-39-69-51(25-9)55(29-13)73(81-69)59(74-56(30-14)52(26-10)70(82-74)40-66-48(22-6)44(18-2)62(78-66)37-61(43)77-65)35-33-34-36-60-75-57(31-15)53(27-11)71(83-75)41-67-49(23-7)45(19-3)63(79-67)38-64-46(20-4)50(24-8)68(80-64)42-72-54(28-12)58(32-16)76(60)84-72/h33-42,77,79,82,84H,17-32H2,1-16H3/b35-33?,36-34?,61-37-,62-37-,63-38-,64-38-,65-39-,66-40-,67-41-,68-42-,69-39-,70-40-,71-41-,72-42-,73-59-,74-59-,75-60-,76-60-

InChI key： WGYBIEVWKLCZNF-OUKRQJRMSA-N

SMILES： CCC1=C(CC)/C/2=C/c3[nH]c(c(CC)c3CC)/C(=C/3\N=C(/C=c/4\[nH]/c(=C\C1=N2)/c(CC)c4CC)C(=C3CC)CC)/C=CC=C/C/1=C\2/N=C(/C=c/3\[nH]/c(=C\C4=N/C(=C\c5[nH]c1c(CC)c5CC)/C(=C4CC)CC)/c(CC)c3CC)C(=C2CC)CC

Systematic name (3)：

5,5′-(1,3-ブタジエン-1,4-ジイル)ビス(2,3,7,8,12,13,17,18-オクタエチル-21H,23H-ポルフィリン)
4,5,9,10,14,15,19,20-オクタエチル-2-(4-{4,5,9,10,14,15,19,20-オクタエチル-21,22,23,24-テトラアザペンタシクロ[16.2.1.1^3,6.1^8,11.1^13,16]テトラコサ-1,3,5,7,9,11(23),12,14,16,18(21),19-ウンデカエン-2-イル}ブタ-1,3-ジエン-1-イル)-21,22,23,24-テトラアザペンタシクロ[16.2.1.1^3,6.1^8,11.1^13,16]テトラコサ-1,3,5,7,9,11(23),12,14,16,18(21),19-ウンデカエン
4,5,9,10,14,15,19,20-octaethyl-2-(4-{4,5,9,10,14,15,19,20-octaethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^3,6.1^8,11.1^13,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-2-yl}buta-1,3-dien-1-yl)-21,22,23,24-tetraazapentacyclo[16.2.1.1^3,6.1^8,11.1^13,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene

Other name (1)：

5,5′-(1,3-Butadiene-1,4-diyl)bis(2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphyrin)

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