(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 Google Search
Mol Weight	713.5 g/mol
Molecular Formula	C47H34N4Ni
Exact Mass	712.213689 g/mol

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SpectraBase Spectrum ID	AEQD5REhFoC
Name	(2-Isopropyl-5,10,15,20-tetraphenylporphyrinato)nickel
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	712.213689111 u
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	C1=2N3C(=CC2C(C)C)C(=C2N=C(C(=C4N([Ni]3)C(=C(C3=NC(=C1C1=CC=CC=C1)C=C3)C1=CC=CC=C1)C=C4)C1=CC=CC=C1)C=C2)C1=CC=CC=C1