118401-72-2
SILICON 2,3,9,10,16,17,23,24-OCTAKIS(OCTYLOXY)-29H,31H-PHTHALOCYANINE DIHYDROXIDE
NameSILICON 2,3,9,10,16,17,23,24-OCTAKIS(OCTYLOXY)-29H,31H-PHTHALOCYANINE DIHYDROXIDE
1Identification
【Name】
SILICON 2,3,9,10,16,17,23,24-OCTAKIS(OCTYLOXY)-29H,31H-PHTHALOCYANINE DIHYDROXIDE
【CAS】
【MDL】
MFCD00674079
【English Synonyms】
【Formula】
C96H146N8O10Si
【MolWeight】
1600.34
【Inchi】
InChI=1S/C96H146N8O10Si/c1-9-17-25-33-41-49-57-107-81-65-73-74(66-82(81)108-58-50-42-34-26-18-10-2)90-97-89(73)99-93-77-69-85(111-61-53-45-37-29-21-13-5)86(112-62-54-46-38-30-22-14-6)70-78(77)95-101-91-75-67-83(109-59-51-43-35-27-19-11-3)84(110-60-52-44-36-28-20-12-4)68-76(75)92(98-91)102-96-80-72-88(114-64-56-48-40-32-24-16-8)87(113-63-55-47-39-31-23-15-7)71-79(80)94(100-90)104(96)115(105,106)103(93)95/h65-72,105-106H,9-64H2,1-8H3/b99-89-,99-93?,100-90?,100-94-,101-91-,101-95?,102-92?,102-96-
【InChIKey】
InChIKey=BTLCKOZABRTZQK-BAMABFNNSA-N
【SMILES】
CCCCCCCCOC1=CC2=C(C=C1OCCCCCCCC)\C1=N\C3=C4C=C(OCCCCCCCC)C(OCCCCCCCC)=CC4=C4\N=C5/N=C(/N=C6\N(\C(=N/C2=N1)C1=C6C=C(OCCCCCCCC)C(OCCCCCCCC)=C1)[Si](O)(O)N34)C1=C5C=C(OCCCCCCCC)C(OCCCCCCCC)=C1
【MOL File】
SILICON 2,3,9,10,16,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:18
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
SILICON 2,3,9,10,16,17,23,24-OCTAKIS(OCTYLOXY)-29H,31H-PHTHALOCYANINE DIHYDROXIDE.cml