hexadecachloro-9,18,27,36,37,39,40,41-octaaza-38-cupradecacyclo[17.17.3.1^{10,17}.1^{28,35}.0^{2,7}.0^{8,37}.0^{11,16}.0^{20,25}.0^{26,39}.0^{29,34}]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene

• ChemBase ID: 109864
• Molecular Formular: C32Cl16CuN8
• Molecular Mass: 1127.19
• Monoisotopic Mass: 1118.45583242
• SMILES: Clc1c(Cl)c2c(c3=NC4=NC(=Nc5c6c(Cl)c(Cl)c(Cl)c(Cl)c6c6n5[Cu]n3c2=NC2=NC(=N6)c3c2c(c(c(c3Cl)Cl)Cl)Cl)c2c4c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl
• Canonical SMILES: Clc1c2C3=Nc4n5[Cu]n6c(=NC(=N3)c2c(c(c1Cl)Cl)Cl)c1c(Cl)c(Cl)c(c(c1c6=NC1=NC(=Nc5c2c4c(Cl)c(c(c2Cl)Cl)Cl)c2c1c(Cl)c(c(c2Cl)Cl)Cl)Cl)Cl
• InChI: InChI=1S/C32Cl16N8.Cu/c33-9-1-2(10(34)18(42)17(9)41)26-49-25(1)53-27-3-4(12(36)20(44)19(43)11(3)35)29(50-27)55-31-7-8(16(40)24(48)23(47)15(7)39)32(52-31)56-30-6-5(28(51-30)54-26)13(37)21(45)22(46)14(6)38;/q-2;+2
• InChIKey: ABFKYPFPQRDCGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexadecachloro-9,18,27,36,37,39,40,41-octaaza-38-cupradecacyclo[17.17.3.1^{10,17}.1^{28,35}.0^{2,7}.0^{8,37}.0^{11,16}.0^{20,25}.0^{26,39}.0^{29,34}]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene
• IUPAC Traditional name: hexadecachloro-9,18,27,36,37,39,40,41-octaaza-38-cupradecacyclo[17.17.3.1^{10,17}.1^{28,35}.0^{2,7}.0^{8,37}.0^{11,16}.0^{20,25}.0^{26,39}.0^{29,34}]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene
• Synonyms: PHTHALOCYANINE GREEN

Database IDs

• CAS Number: 14832-14-5
• PubChem SID: 162095289
• PubChem CID: 26932

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 14.5508
• LogD (pH = 7.4): 14.5508
• Log P: 14.5508
• Molar Refractivity: 233.8296 cm^3
• Polarizability: 95.568985 Å^3
• Polar Surface Area: 87.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false