Chem
J-GLOBAL ID:200907048699253289   Nikkaji number:J1.760.000A

5,5′-(1,3,5,7,9,11,13,15-Hexadecaoctyne-1,16-diyl)bis[10,20-bis(3-methylbutoxy)-21H,23H-porphyrin]

5,5′-(1,3,5,7,9,11,13,15-ヘキサデカオクタイン-1,16-ジイル)ビス[10,20-ビス(3-メチルブトキシ)-21H,23H-ポルフィリン]
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: C76H66N8O4
Molecular formula furigana: C76-H66-N8-O4
Molecular weight: 1155.416
InChI: InChI=1S/C76H66N8O4/c1-51(2)41-45-85-73-65-29-25-55(77-65)49-56-26-30-66(78-56)74(86-46-42-52(3)4)70-38-34-62(82-70)59(61-33-37-69(73)81-61)23-21-19-17-15-13-11-9-10-12-14-16-18-20-22-24-60-63-35-39-71(83-63)75(87-47-43-53(5)6)67-31-27-57(79-67)50-58-28-32-68(80-58)76(88-48-44-54(7)8)72-40-36-64(60)84-72/h25-40,49-54,77,79,82,84H,41-48H2,1-8H3/b55-49-,56-49-,57-50-,58-50-,61-59-,62-59-,63-60-,64-60-,73-65+,73-69+,74-66+,74-70+,75-67+,75-71+,76-68+,76-72+
InChI key: KSLAMZKTIFMPHP-HAGXQROXSA-N
SMILES: CC(C)CCO/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C=C\5/C=CC1=N5)[nH]4)/OCCC(C)C)/C=C3)\C#CC#CC#CC#CC#CC#CC#CC#C/C/1=c/3\cc/c(=C(/C4=N/C(=C\c5ccc(/C(=C\6/C=CC1=N6)/OCCC(C)C)[nH]5)/C=C4)\OCCC(C)C)/[nH]3)/[nH]2
Systematic name  (3):
  • 5,5′-(1,3,5,7,9,11,13,15-ヘキサデカオクタイン-1,16-ジイル)ビス[10,20-ビス(3-メチルブトキシ)-21H,23H-ポルフィリン]
  • 17-{16-[7,17-ビス(3-メチルブトキシ)-21,22,23,24-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-1,3(24),4,6,8,10,12,14,16(22),17,19-ウンデカエン-2-イル]ヘキサデカ-1,3,5,7,9,11,13,15-オクタイン-1-イル}-2,12-ビス(3-メチルブトキシ)-21,22,23,24-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-1,3,5,7,9,11(23),12,14,16,18(21),19-ウンデカエン
  • 17-{16-[7,17-bis(3-methylbutoxy)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]hexadeca-1,3,5,7,9,11,13,15-octayn-1-yl}-2,12-bis(3-methylbutoxy)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene
Other name (1):
  • 5,5′-(1,3,5,7,9,11,13,15-Hexadecaoctyne-1,16-diyl)bis[10,20-bis(3-methylbutoxy)-21H,23H-porphyrin]
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