Cobalt(ii)2,3-naphthalocyanine

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Catalog Number
ACM26603203
Product Name
Cobalt(ii)2,3-naphthalocyanine
Structure
Structure
CAS
26603-20-3
Category
Organic & Printed Electronics
Synonyms
Cobalt(II) 2,3-naphthalocyanine;Cobalt(II) 2,3-naphthalocyanine Dye content 85 %
IUPAC Name
cobalt(2+);2,15,28,41,53,55-hexaza-54,56-diazanidatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27(55),28,30,32,34,36,38,40,42(53),43,45,47,49,51-heptacosaene
Molecular Weight
771.7g/mol
Molecular Formula
C48H24CoN8
Canonical SMILES
C1=CC=C2C=C3C(=CC2=C1)C4=NC5=NC(=NC6=C7C=C8C=CC=CC8=CC7=C([N-]6)N=C9C1=CC2=CC=CC=C2C=C1C(=N9)N=C3[N-]4)C1=CC2=CC=CC=C2C=C15.[Co+2]
InChI
InChI=1S/C48H24N8.Co/c1-2-10-26-18-34-33(17-25(26)9-1)41-49-42(34)54-44-37-21-29-13-5-6-14-30(29)22-38(37)46(51-44)56-48-40-24-32-16-8-7-15-31(32)23-39(40)47(52-48)55-45-36-20-28-12-4-3-11-27(28)19-35(36)43(50-45)53-41;/h1-24H;/q-2;+2
InChI Key
PCLONZCDFMRSKV-UHFFFAOYSA-N
Complexity
1550
Covalently-Bonded Unit Count
2
Exact Mass
771.145586g/mol
Formal Charge
0
H-Bond Acceptor
4
H-Bond Donor
0
Heavy Atom Count
57
Monoisotopic Mass
771.145586g/mol
Rotatable Bond Count
0
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