33273-09-5 Purity
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Specification
The molecular formula of AlPCCI is C32H16AlClN8.
AlPCCI was created on 2005-07-19 and last modified on 2023-12-30.
The IUPAC name of AlPCCI is 38-chloro-9,18,27,36,37,39,40,41-octaza-38-aluminadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene.
The InChI of AlPCCI is InChI=1S/C32H16N8.Al.ClH/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;;/h1-16H;;1H/q-2;+3;/p-1.
The Canonical SMILES of AlPCCI is C1=CC=C2C(=C1)C3=NC4=C5C=CC=CC5=C6N4[Al](N7C(=NC2=N3)C8=CC=CC=C8C7=NC9=NC(=N6)C1=CC=CC=C19)Cl.
The CAS number of AlPCCI is 14154-42-8.
The molecular weight of AlPCCI is 575.0 g/mol.
AlPCCI has 2 hydrogen bond acceptor counts.
The topological polar surface area of AlPCCI is 82.3 Ų.
Yes, AlPCCI is a canonicalized compound.