105250-49-5
OXO[5,10,15,20-TETRA(4-PYRIDYL)PORPHYRINATO]TITANIUM(IV)
NameOXO[5,10,15,20-TETRA(4-PYRIDYL)PORPHYRINATO]TITANIUM(IV)
1Identification
【Name】
OXO[5,10,15,20-TETRA(4-PYRIDYL)PORPHYRINATO]TITANIUM(IV)
【CAS】
【MDL】
MFCD00191476
【English Synonyms】
【Formula】
C40 H24 N8 O Ti
【MolWeight】
680.552
【Inchi】
InChI=1S/C40H24N8.O.Ti/c1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25;;/h1-24H;;/q-2;;+2/b37-29-,37-31-,38-30-,38-32-,39-33-,39-35-,40-34-,40-36-;;
【InChIKey】
InChIKey=GNZXTMFGHRXKDZ-NGRCPIEASA-N
【SMILES】
c1cc2/c(c/3\nc(/c(c\4/cc/c5/n4[Ti](=O)n2c1/c(c/6\nc(\c5\c7ccncc7)C=C6)/c8ccncc8)/c9ccncc9)C=C3)/c1ccncc1
【MOL File】
OXO[5,10,15,20-TETRA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:9
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
OXO[5,10,15,20-TETRA(4-PYRIDYL)PORPHYRINATO]TITANIUM(IV).cml