Bis{1-nickel(II) 2,3,4,5,6,7,8-heptaethylporphyrinyl]}methanol

SpectraBase Compound ID	FTSYOHpnoX
InChI	InChI=1S/C69H80N8O.2Ni/c1-15-37-39(17-3)53-31-57-45(23-9)47(25-11)61(74-57)35-65-67(49(27-13)63(76-65)33-59-43(21-7)41(19-5)55(72-59)29-51(37)70-53)69(78)68-50(28-14)64-34-60-44(22-8)42(20-6)56(73-60)30-52-38(16-2)40(18-4)54(71-52)32-58-46(24-10)48(26-12)62(75-58)36-66(68)77-64;;/h29-36,69,78H,15-28H2,1-14H3;;/q-4;2*+2/b51-29-,52-30-,53-31-,54-32-,55-29-,56-30-,57-31-,58-32-,59-33-,60-34-,61-35-,62-36-,63-33-,64-34-,65-35-,66-36-;;
InChIKey	WVPAGTAEGRHXBQ-LCMIYYKRSA-N Google Search
Mol Weight	1154.8 g/mol
Molecular Formula	C69H80N8Ni2O
Exact Mass	1152.516193 g/mol

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SpectraBase Spectrum ID	B48R6ki3kZG
Name	Bis{1-nickel(II) 2,3,4,5,6,7,8-heptaethylporphyrinyl]}methanol
Alternate Name(s)	bis({5,9,10,14,15,19,20-heptaethyl-21,23,24,25-tetraaza-22-nickelahexacyclo[9.9.3.1(3,6).1(13,16).0(8,23).0(18,21)]pentacosa-1(20),2,4,6(25),7,9,11,13(24),14,16,18-undecaen-4-yl})methanol
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C69H80N8Ni2O
InChI	InChI=1S/C69H80N8O.2Ni/c1-15-37-39(17-3)53-31-57-45(23-9)47(25-11)61(74-57)35-65-67(49(27-13)63(76-65)33-59-43(21-7)41(19-5)55(72-59)29-51(37)70-53)69(78)68-50(28-14)64-34-60-44(22-8)42(20-6)56(73-60)30-52-38(16-2)40(18-4)54(71-52)32-58-46(24-10)48(26-12)62(75-58)36-66(68)77-64;;/h29-36,69,78H,15-28H2,1-14H3;;/q-4;2*+2/b51-29-,52-30-,53-31-,54-32-,55-29-,56-30-,57-31-,58-32-,59-33-,60-34-,61-35-,62-36-,63-33-,64-34-,65-35-,66-36-;;
InChIKey	WVPAGTAEGRHXBQ-LCMIYYKRSA-N
Molecular Weight	1154.841 g/mol
SMILES	OC(c1c2cc3[n]4c(cc5nc(cc6[n](c(cc(c1CC)n2)c(c6CC)CC)[Ni]4)c(CC)c5CC)c(c3CC)CC)c1c(c2cc3[n]4c(cc5nc(cc6[n]([Ni]4)c(cc1n2)c(CC)c6CC)c(c5CC)CC)c(CC)c3CC)CC
SPLASH	splash10-000i-0200090000-04b0ea8a704aa7e6ef75
Source of Spectrum	J-56-4417-54
Wiley ID	1418640