2,7,12,17-tetrakis(4-methoxyphenyl)-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

Compound number:
MolPort-000-752-019
CAS number: 22112-78-3
IUPAC:
2,7,12,17-tetrakis(4-methoxyphenyl)-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(4-methoxyphenyl)-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:
COc1ccc(cc1)-c1c2ccc(n2)c(-c2ccc(OC)cc2)c2ccc([nH]2)c(-c2ccc(OC)cc2)c2ccc(n2)c(-c2ccc(OC)cc2)c2ccc1[nH]2
InChI key:
PJOJZHHAECOAFH-PJEPRTEXSA-N
Molecular formula:
C48H38N4O4
Molecular weight: 734.856
Solubility: not available
Sample Reformatting

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More Information

Compound Identifiers
Compound number: MolPort-000-752-019
CAS number: 22112-78-3

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000097943291
MFCD00012072
-21h,23h-porphine
21H,23H-Porphine, 5,10,15,20-tetrakis(4-methoxyphenyl)-
2,7,12,17-tetrakis(4-methoxyphenyl)-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
4-methoxy-1-[7,12,17-tris(4-methoxyphenyl)-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-undec aen-2-yl]benzene
5,10,15,20-Tetrakis(4-methoxyphenyl)
5,10,15,20-Tetrakis(4-methoxyphenyl)-21H,23H-porphine
5,10,15,20-Tetrakis-(4-methoxy-phenyl)-porphyrin
5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin
meso-Tera(4-methoxyphenyl)porphyrin
meso-Tetra (4-methoxyphenyl) Porphine
meso-Tetrakis(4-methoxyphenyl)porphine

InChI
InChI: 1S/C48H38N4O4/c1-53-33-13-5-29(6-14-33)45-37-21-23-39(49-37)46(30-7-15-34(54-2)16-8-30)41-25-27-43(51-41)48(32-11-19-36(56-4)20-12-32)44-28-26-42(52-44)47(40-24-22-38(45)50-40)31-9-17-35(55-3)18-10-31/h5-28,49,52H,1-4H3/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-
InChI key: PJOJZHHAECOAFH-PJEPRTEXSA-N

Calculated Properties
Molecular formula: C48H38N4O4
Molecular weight: 734.856

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