2-[Bis(nitromethyl)methyl]-5,10,15,20-tetraphenylporphyrin

SpectraBase Compound ID	GEiEykqygkl
InChI	InChI=1S/C47H34N6O4/c54-52(55)28-34(29-53(56)57)35-27-42-45(32-17-9-3-10-18-32)40-24-23-38(49-40)43(30-13-5-1-6-14-30)36-21-22-37(48-36)44(31-15-7-2-8-16-31)39-25-26-41(50-39)46(47(35)51-42)33-19-11-4-12-20-33/h1-27,34,48,51H,28-29H2/b43-36-,43-38-,44-37-,44-39-,45-40-,45-42-,46-41-,47-46-
InChIKey	KPVOPCGUZFFSSQ-LQTONPHTSA-N Google Search
Mol Weight	746.8 g/mol
Molecular Formula	C47H34N6O4
Exact Mass	746.264154 g/mol

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SpectraBase Spectrum ID	6GbSoMuKoWQ
Name	2-[Bis(nitromethyl)methyl]-5,10,15,20-tetraphenylporphyrin
Alternate Name(s)	4-[2-nitro-1-(nitromethyl)ethyl]-2,7,12,17-tetraphenyl-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
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C47H34N6O4
InChI	InChI=1S/C47H34N6O4/c54-52(55)28-34(29-53(56)57)35-27-42-45(32-17-9-3-10-18-32)40-24-23-38(49-40)43(30-13-5-1-6-14-30)36-21-22-37(48-36)44(31-15-7-2-8-16-31)39-25-26-41(50-39)46(47(35)51-42)33-19-11-4-12-20-33/h1-27,34,48,51H,28-29H2/b43-36-,43-38-,44-37-,44-39-,45-40-,45-42-,46-41-,47-46-
InChIKey	KPVOPCGUZFFSSQ-LQTONPHTSA-N
Molecular Weight	746.827 g/mol
SMILES	[nH]1c2c(cc1c(c1nc(c(c3[nH]c(c(c4nc(c2-c2ccccc2)cc4)-c2ccccc2)cc3)-c2ccccc2)cc1)-c1ccccc1)C(CN(=O)=O)CN(=O)=O
SPLASH	splash10-0002-0000002900-27a42a4f3c80641dfc61
Source of Spectrum	HC-21-779-0
Wiley ID	1416251