57328-22-0
(TETRA-T-BUTYLPHTHALOCYANINATO)NICKEL(II)
Name
(TETRA-T-BUTYLPHTHALOCYANINATO)NICKEL(II)
Formula
C48 H48 N8 Ni
MolWeight
795.656
1Identification
【Name】
(TETRA-T-BUTYLPHTHALOCYANINATO)NICKEL(II)
【CAS】
【MDL】
MFCD00210372
【English Synonyms】
【Formula】
C48 H48 N8 Ni
【MolWeight】
795.656
【Inchi】
InChI=1S/C48H48N8.Ni/c1-45(2,3)25-13-17-29-33(21-25)41-49-37(29)54-42-35-23-27(47(7,8)9)15-19-31(35)39(51-42)56-44-36-24-28(48(10,11)12)16-20-32(36)40(52-44)55-43-34-22-26(46(4,5)6)14-18-30(34)38(50-43)53-41;/h13-24H,1-12H3;/q-2;+2
【InChIKey】
InChIKey=IFTQAKNPXSJXGF-UHFFFAOYSA-N
【SMILES】
CC(C)(C)c1ccc\2c(c1)/c/3n/c-4n/c(n\c5c6ccc(cc6c/7n5[Ni]n3/c2n\c-8n/c(n7)/c9c8cc(cc9)C(C)(C)C)C(C)(C)C)/c1c4ccc(c1)C(C)(C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(TETRA-T-BUTYLPHTHALOCYANINATO)NICKEL(II).cml
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