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(2-Isopropyl-5,10,15,20-tetraphenylporphyrinato)nickel
SpectraBase Compound ID LAyOeHOuH5d
InChI InChI=1S/C47H34N4.Ni/c1-30(2)35-29-42-45(33-19-11-5-12-20-33)40-26-25-38(49-40)43(31-15-7-3-8-16-31)36-23-24-37(48-36)44(32-17-9-4-10-18-32)39-27-28-41(50-39)46(47(35)51-42)34-21-13-6-14-22-34;/h3-30H,1-2H3;/q-2;+2/b43-36-,43-38-,44-37-,44-39-,45-40-,45-42-,46-41-,47-46-;
InChIKey FXXXYTSIRURFHO-GBGVRRJWSA-N
Mol Weight 713.5 g/mol
Molecular Formula C47H34N4Ni
Exact Mass 712.213689 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HIaSEKbkndL
Name (2-Isopropyl-5,10,15,20-tetraphenylporphyrinato)nickel
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C47H34N4Ni
InChI InChI=1S/C47H34N4.Ni/c1-30(2)35-29-42-45(33-19-11-5-12-20-33)40-26-25-38(49-40)43(31-15-7-3-8-16-31)36-23-24-37(48-36)44(32-17-9-4-10-18-32)39-27-28-41(50-39)46(47(35)51-42)34-21-13-6-14-22-34;/h3-30H,1-2H3;/q-2;+2/b43-36-,43-38-,44-37-,44-39-,45-40-,45-42-,46-41-,47-46-;
InChIKey FXXXYTSIRURFHO-GBGVRRJWSA-N
Molecular Weight 713.510 g/mol
SMILES c12[n]3c(cc2C(C)C)c(c2nc(c(c4[n]([Ni]3)c(c(c3nc(c1-c1ccccc1)cc3)-c1ccccc1)cc4)-c1ccccc1)cc2)-c1ccccc1
SPLASH splash10-03di-0001004900-35022c3bda64f8eca0e0
Source of Spectrum J-59-4436-9
Synonyms 2,7,12,17-tetraphenyl-9-(propan-2-yl)-21,23,24,25-tetraaza-22-nickelahexacyclo[9.9.3.1(3,6).1(13,16).0(8,23).0(18,21)]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaene
Wiley ID 1415421