Titanium, dibromo[5,10,15,20-tetraphenyl-21H,23H-porphinato(2-)-N21,N22,N23,N24]-, (oc-6-12)-

SpectraBase Compound ID	8qeU9coKAwB
InChI	InChI=1S/C44H28N4.2BrH.Ti/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;;;/h1-28H;2*1H;/q-2;;;+4/p-2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;;
InChIKey	GWFFLJPAXKLQQH-NBICUONBSA-L Google Search
Mol Weight	820.4 g/mol
Molecular Formula	C44H28Br2N4Ti
Exact Mass	818.016014 g/mol

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SpectraBase Spectrum ID	BY7AIw4r5yL
Name	Titanium, dibromo[5,10,15,20-tetraphenyl-21H,23H-porphinato(2-)-N21,N22,N23,N24]-, (oc-6-12)-
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	818.016013818 u
Formula	C44H28Br2N4Ti
InChI	InChI=1S/C44H28N4.2BrH.Ti/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;;;/h1-28H;2*1H;/q-2;;;+4/p-2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;;
InChIKey	GWFFLJPAXKLQQH-NBICUONBSA-L
Molecular Weight	820.411 g/mol
SMILES	C=12N3[Ti](N4C(=C(C=5C=CC(=C2C2=CC=CC=C2)N5)C=2C=CC=CC2)C=CC4=C(C2=NC(=C(C3=CC1)C=1C=CC=CC1)C=C2)C1=CC=CC=C1)(Br)Br