9,18,27,36,37,39,40,41-octaaza-38-manganadecacyclo[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: 112048
• Molecular Formular: C32H16MnN8
• Molecular Mass: 567.461089
• Monoisotopic Mass: 567.08783765
• SMILES: c1cc2c(cc1)c1N=C3N=C(N=c4c5ccccc5c5=NC6=NC(=Nc2n1[Mn]n45)c1ccccc61)c1ccccc31
• Canonical SMILES: c1ccc2c(c1)C1=NC2=Nc2c3ccccc3c3n2[Mn]n2c(=N1)c1ccccc1c2=NC1=NC(=N3)c2c1cccc2
• InChI: InChI=1S/C32H16N8.Mn/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;/q-2;+2
• InChIKey: ICIFYHOILPYQKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9,18,27,36,37,39,40,41-octaaza-38-manganadecacyclo[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; (9Z,18Z,26Z,35Z)-9,18,27,36,37,39,40,41-octaaza-38-manganadecacyclo[17.17.3.1^1^0,^1^7.1^2^8,^3^5.0^2,^7.0^8,^3^7.0^1^1,^1^6.0^2^0,^2^5.0^2^6,^3^9.0^2^9,^3^4]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: 9,18,27,36,37,39,40,41-octaaza-38-manganadecacyclo[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; (9Z,18Z,26Z,35Z)-9,18,27,36,37,39,40,41-octaaza-38-manganadecacyclo[17.17.3.1^1^0,^1^7.1^2^8,^3^5.0^2,^7.0^8,^3^7.0^1^1,^1^6.0^2^0,^2^5.0^2^6,^3^9.0^2^9,^3^4]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, MANGANESE; Manganese(II) phthalocyanine

Database IDs

• CAS Number: 14325-24-7
• EC Number: 231-105-1
• PubChem SID: 162097438
• PubChem CID: 2735074
• Wikipedia Title: Manganese(II)_phthalocyanine

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 6.2627993
• LogD (pH = 7.4): 6.2628
• Log P: 6.2628
• Molar Refractivity: 156.9528 cm^3
• Polarizability: 64.23765 Å^3
• Polar Surface Area: 87.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Nature polluting (N)

DETAILS

MP Biomedicals - 05222333

MP Biomedicals Rare Chemical collection