Copper,(1,3,8,16,24-hexabromo-2,4,9,10,11,15,17,22,23,25- decachloro-29H,31H-phthalocyanato(2--N29,N30,N31,N32-,(SP-4-2-

General Information

Mainterm	Copper,(1,3,8,16,24-hexabromo-2,4,9,10,11,15,17,22,23,25- decachloro-29H,31H-phthalocyanato(2--N29,N30,N31,N32-,(SP-4-2-
CAS Reg.No.(or other ID)	14302-13-7
Regnum

From www.fda.gov

Computed Descriptors

2D Structure
CID	61729
IUPAC Name
InChI	InChI=1S/C32Br6Cl10N8.Cu/c33-9-1-4(15(39)12(36)20(9)44)28-49-25(1)53-31-7-8(18(42)23(47)14(38)17(7)41)32(56-31)54-26-2-5(16(40)13(37)21(45)10(2)34)29(50-26)55-30-6-3(27(51-28)52-30)11(35)22(46)24(48)19(6)43;/q-2;+2
InChI Key	JRJLLXQDXANQEC-UHFFFAOYSA-N
Canonical SMILES	C12=C(C(=C(C(=C1Cl)Br)Cl)Br)C3=NC4=NC(=NC5=C6C(=C([N-]5)N=C7C8=C(C(=C(C(=C8Br)Cl)Cl)Cl)C(=N7)N=C2[N-]3)C(=C(C(=C6Br)Cl)Br)Cl)C9=C4C(=C(C(=C9Cl)Br)Cl)Cl.[Cu+2]
Molecular Formula	C32Br6Cl10CuN8
Wikipedia	pigment green 36

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	1393.878
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Complexity	1860.0
CACTVS Substructure Key Fingerprint	A A A D c Q B / w A A H n A A E A A A A A A A A A A A A A W L E C A A w Y M G A A A A A A F i B 9 A A A D A J A A A A B r A I B G i A B s N I I E A C g A g J g Z A C C g C k h B C Q B m m A g R r i I I G L B m p G E I A h g g A L I y j c Q g I A O h g A Y M A D x g A Y M A D B g A e M A D A A A A A A A A A = =
Topological Polar Surface Area	76.2
Monoisotopic Mass	1382.153
Exact Mass	1392.141
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	57
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	2

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Tetrapyrroles and derivatives
Subclass	Phthalocyanines
Intermediate Tree Nodes	Not available
Direct Parent	Phthalocyanines
Alternative Parents	Organopnictogen compounds Isoindoles Organobromides Organonitrogen compounds Organic copper salts Hydrocarbon derivatives Organochlorides Aryl chlorides Aryl bromides Organic zwitterions Benzenoids Heteroaromatic compounds Pyrroles Azacyclic compounds Organic metal halides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phthalocyanine skeleton - Isoindole - Isoindole or derivatives - Aryl bromide - Aryl chloride - Aryl halide - Benzenoid - Heteroaromatic compound - Pyrrole - Organic metal halide - Azacycle - Organic transition metal salt - Organic copper salt - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - Organopnictogen compound - Organic salt - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phthalocyanines. These are cyclic tetrapyrroles that contain a phthalocyanine skeleton, which consists of four isoindole-type units, with the connecting carbon atoms in the macrocycle replaced by nitrogen.

From ClassyFire