39049-43-9
ZINC 2,11,20,29-TETRA-TERT-BUTYL-2,3-NAPHTHALOCYANINE
NameZINC 2,11,20,29-TETRA-TERT-BUTYL-2,3-NAPHTHALOCYANINE
1Identification
【Name】
ZINC 2,11,20,29-TETRA-TERT-BUTYL-2,3-NAPHTHALOCYANINE
【CAS】
【MDL】
MFCD00209625
【English Synonyms】
【Formula】
C64 H56 N8 Zn
【MolWeight】
1002.59
【Inchi】
InChI=1S/C64H56N8.Zn/c1-61(2,3)49-37-25-17-13-21-33(37)29-41-45(49)57-65-53(41)70-58-47-43(31-35-23-15-19-27-39(35)51(47)63(7,8)9)55(67-58)72-60-48-44(32-36-24-16-20-28-40(36)52(48)64(10,11)12)56(68-60)71-59-46-42(54(66-59)69-57)30-34-22-14-18-26-38(34)50(46)62(4,5)6;/h13-32H,1-12H3;/q-2;+2
【InChIKey】
InChIKey=JBGSEDYQNMZQKN-UHFFFAOYSA-N
【SMILES】
CC(C)(C)c1c2ccccc2cc\3c1/c/4n/c-5n/c(n\c6c7cc8ccccc8c(c7c/9n6[Zn]n4/c3n\c-1n/c(n9)/c2c1c(c1ccccc1c2)C(C)(C)C)C(C)(C)C)/c1c5cc2ccccc2c1C(C)(C)C
【MOL File】
ZINC 2,11,20,29-TETR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:19.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ZINC 2,11,20,29-TETRA-TERT-BUTYL-2,3-NAPHTHALOCYANINE.cml