Aluminum phthalocyanine chloride

C₃₂H₁₆AlClN₈CAS 14154-42-8574.97 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃₂H₁₆AlClN₈
Molar mass: 574.97 g/mol
Exact mass: 574.1002 Da
logP: 2.65Crippen estimate
Polar surface area: 105.5 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 0

Identifiers

CAS number

14154-42-8

SMILES

[Al+3].[Cl-].c1ccc2c(c1)-c1nc-2nc2[n-]c(nc3nc([n-]c4nc(n1)-c1ccccc1-4)-c1ccccc1-3)c1ccccc21

InChIKey

LBGCRGLFTKVXDZ-UHFFFAOYSA-M

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all

Aluminum, chloro[29H,31H-phthalocyaninato(2-)-κN29,κN30,κN31,κN32]-, (SP-5-12)-
Aluminum, chloro[phthalocyaninato(2-)]-
Aluminum, chloro[29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-, (SP-5-12)-
29H,31H-Phthalocyanine, aluminum complex
(SP-5-12)-Chloro[29H,31H-phthalocyaninato(2-)-κN29,κN30,κN31,κN32]aluminum
Monochloroaluminum phthalocyanine
Chloro[phthalocyaninato(2-)]aluminum
Chloro(phthalocyaninato)aluminum
Chlorophthalocyaninealuminum
C.I. 741300
C.I. Pigment blue 79
Pigment blue 79
SF Cyan A 209

Work with Aluminum phthalocyanine chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Zinc phthalocyanine14320-04-877 % similar Iron(II) phthalocyanine132-16-175 % similar BM 64147-14-875 % similar Cobalt phthalocyanine3317-67-775 % similar Titanyl phthalocyanine26201-32-169 % similar C.I. Direct blue 861330-38-739 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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