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2,7,12,17-tetrakis(pyridin-2-yl)-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

2,7,12,17-tetrakis(pyridin-2-yl)-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
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Compound number:
MolPort-003-944-502
CAS number: 40904-90-3
IUPAC:
2,7,12,17-tetrakis(pyridin-2-yl)-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
IUPAC traditional:
2,7,12,17-tetrakis(pyridin-2-yl)-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
SMILES:
c1cc2nc1c(-c1ccccn1)c1ccc([nH]1)c(-c1ccccn1)c1ccc(n1)c(-c1ccccn1)c1ccc([nH]1)c2-c1ccccn1
InChI key:
SBTXZBOBSRZUPE-KHQKEXQOSA-N
Molecular formula:
C40H26N8
Molecular weight: 618.704
Solubility: not available
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More Information

Compound Identifiers
Compound number: MolPort-003-944-502
CAS number: 40904-90-3

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000077319432
MFCD00600954
2,7,12,17-tetra(2-pyridyl)-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
5,10,15,20-Tetrapyridinylporphyrin
meso-Tetra (2-pyridyl) porphine
meso-Tetra (2-pyridyl)porphine

InChI
InChI: 1S/C40H26N8/c1-5-21-41-25(9-1)37-29-13-15-31(45-29)38(26-10-2-6-22-42-26)33-17-19-35(47-33)40(28-12-4-8-24-44-28)36-20-18-34(48-36)39(27-11-3-7-23-43-27)32-16-14-30(37)46-32/h1-24,45,48H/b37-29-,37-30-,38-31-,38-33-,39-32-,39-34-,40-35-,40-36-
InChI key: SBTXZBOBSRZUPE-KHQKEXQOSA-N

Calculated Properties
Molecular formula: C40H26N8
Molecular weight: 618.704

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2019 MolPort, v3.28, release date 17-11-2019 13:00 (+0200). All rights reserved.
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