CAS 91083-54-4 Lead(II) tetrakis(4-cumylphenoxy)phthalocyanine

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Lead(II) tetrakis(4-cumylphenoxy)phthalocyanine

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Catalog Number

ACM91083544

Product Name

Lead(II) tetrakis(4-cumylphenoxy)phthalocyanine

Structure

CAS

91083-54-4

Category

Other Materials

Synonyms

Lead(II) tetrakis(4-cumylphenoxy)phthalocyanine;91083-54-4;CTK8G0532;FT-0701584;

IUPAC Name

4,14,22,32-tetrakis[4-(2-phenylpropan-2-yl)phenoxy]-9,18,27,36,37,39,40,41-octaza-38λ2-plumbadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1(36),2(7),3,5,8,10(41),11(16),12,14,17,19,21,23,25,27,29(34),30,32,35(40)-nonadecaene;

Molecular Weight

1560.84g/mol

Molecular Formula

C92H72N8O4Pb;

Canonical SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC3=CC4=C(C=C3)C5=NC6=C7C=CC(=CC7=C8N6[Pb]N9C(=NC1=NC(=N8)C2=C1C=CC(=C2)OC1=CC=C(C=C1)C(C)(C)C1=CC=CC=C1)C1=C(C9=NC4=N5)C=C(C=C1)OC1=CC=C(C=C1)C(C)(C)C1=CC=CC=C1)OC1=CC=C(C=C1)C(C)(C)C1=CC=CC=C1;

InChI

InChI=1S/C92H72N8O4.Pb/c1-89(2,57-21-13-9-14-22-57)61-29-37-65(38-30-61)101-69-45-49-73-77(53-69)85-95-81(73)93-82-75-51-47-71(103-67-41-33-63(34-42-67)91(5,6)59-25-17-11-18-26-59)55-79(75)87(97-82)100-88-80-56-72(104-68-43-35-64(36-44-68)92(7,8)60-27-19-12-20-28-60)48-52-76(80)84(98-88)94-83-74-50-46-70(54-78(74)86(96-83)99-85)102-66-39-31-62(32-40-66)90(3,4)58-23-15-10-16-24-58;/h9-56H,1-8H3;/q-2;+2;

InChI Key

DQDWBYWBJPOVBK-UHFFFAOYSA-N;

Complexity

2990

Covalently-Bonded Unit Count

Exact Mass

1560.544g/mol

Heavy Atom Count

105

Monoisotopic Mass

1560.544g/mol

Rotatable Bond Count