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5,15-Bis(4-methylphenyl)-10,20-diphenylporphyrin
SpectraBase Compound ID H9fgnAgEiuQ
InChI InChI=1S/C46H34N4/c1-29-13-17-33(18-14-29)45-39-25-21-35(47-39)43(31-9-5-3-6-10-31)37-23-27-41(49-37)46(34-19-15-30(2)16-20-34)42-28-24-38(50-42)44(32-11-7-4-8-12-32)36-22-26-40(45)48-36/h3-28,47,50H,1-2H3/b43-35-,43-37-,44-36-,44-38-,45-39-,45-40-,46-41-,46-42-
InChIKey MQQFXDBACGZUMJ-IWLVSUONSA-N
Mol Weight 642.8 g/mol
Molecular Formula C46H34N4
Exact Mass 642.278347 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LQK1sk9rL3l
Name 5,15-Bis(4-methylphenyl)-10,20-diphenylporphyrin
Comments Less than 3 mono-isotopic peaks
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Formula C46H34N4
InChI InChI=1S/C46H34N4/c1-29-13-17-33(18-14-29)45-39-25-21-35(47-39)43(31-9-5-3-6-10-31)37-23-27-41(49-37)46(34-19-15-30(2)16-20-34)42-28-24-38(50-42)44(32-11-7-4-8-12-32)36-22-26-40(45)48-36/h3-28,47,50H,1-2H3/b43-35-,43-37-,44-36-,44-38-,45-39-,45-40-,46-41-,46-42-
InChIKey MQQFXDBACGZUMJ-IWLVSUONSA-N
Molecular Weight 642.806 g/mol
SMILES [nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2-c2ccc(cc2)C)cc4)-c2ccccc2)cc3)-c2ccc(cc2)C)cc1)-c1ccccc1
SPLASH splash10-0006-0000009000-8d88933138e1a471b0ef
Source of Spectrum J-58-7255-31
Synonyms 5,15-Di(4-tolyl)-10,20-diphenylporphyrin 2,12-bis(4-methylphenyl)-7,17-diphenyl-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
Wiley ID 1412774