26227-73-6 Purity
>98.0%(GC)(T)
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Specification
The molecular formula of Tin(iv)2,3-naphthalocyanine dichloride is C48H24Cl2N8Sn.
The molecular weight of Tin(iv)2,3-naphthalocyanine dichloride is 902.4 g/mol.
Tin(iv)2,3-naphthalocyanine dichloride was created on November 11, 2015.
Tin(iv)2,3-naphthalocyanine dichloride was last modified on December 2, 2023.
The IUPAC name of Tin(iv)2,3-naphthalocyanine dichloride is 54,54-dichloro-13,26,39,52,53,55,56,57-octaza-54-stannatetradecacyclo[25.25.3.1 14,25 .1 40,51 .0 2,11 .0 3,8 .0 12,53 .0 15,24 .0 16,21 .0 28,37 .0 29,34 .0 38,55 .0 41,50 .0 42,47 ]heptapentaconta-1(52),2(11),3,5,7,9,12,14(57),15(24),16,18,20,22,25,27,29,31,33,35,37,39,41(50),42,44,46,48,51(56)-heptacosaene.
The InChI of Tin(iv)2,3-naphthalocyanine dichloride is InChI=1S/C48H24N8.2ClH.Sn/c1-5-13-29-25(9-1)17-21-33-37(29)45-49-41(33)54-46-39-31-15-7-3-11-27(31)19-23-35(39)43(51-46)56-48-40-32-16-8-4-12-28(32)20-24-36(40)44(52-48)55-47-38-30-14-6-2-10-26(30)18-22-34(38)42(50-47)53-45;;;/h1-24H;2*1H;/q-2;;;+4/p-2.
The Canonical SMILES of Tin(iv)2,3-naphthalocyanine dichloride is C1=CC=C2C(=C1)C=CC3=C2C4=NC3=NC5=C6C(=C7N5[Sn](N8C(=N4)C9=C(C8=NC1=NC(=N7)C2=C1C=CC1=CC=CC=C12)C1=CC=CC=C1C=C9)(Cl)Cl)C=CC1=CC=CC=C16.
The hydrogen bond donor count of Tin(iv)2,3-naphthalocyanine dichloride is 0.
The hydrogen bond acceptor count of Tin(iv)2,3-naphthalocyanine dichloride is 2.
The topological polar surface area of Tin(iv)2,3-naphthalocyanine dichloride is 82.3Ų.