38,38-dichloro-9,18,27,36,37,39,40,41-octaaza-38-siladecacyclo[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: 104621
• Molecular Formular: C32H16Cl2N8Si
• Molecular Mass: 611.51454
• Monoisotopic Mass: 610.06442444
• SMILES: n12c3N=C4N=C(N=c5n(c(=NC6=NC(=Nc1c1ccccc31)c1c6cccc1)c1ccccc51)[Si]2(Cl)Cl)c1ccccc41
• Canonical SMILES: Cl[Si]1(Cl)n2c3N=C4N=C(N=c5n1c(=NC1=NC(=Nc2c2c3cccc2)c2c1cccc2)c1c5cccc1)c1c4cccc1
• InChI: InChI=1S/C32H16Cl2N8Si/c33-43(34)41-29-21-13-5-6-14-22(21)31(41)39-27-19-11-3-4-12-20(19)28(36-27)40-32-24-16-8-7-15-23(24)30(42(32)43)38-26-18-10-2-1-9-17(18)25(35-26)37-29/h1-16H/b37-25-,37-29-,38-26-,38-30-,39-27-,39-31-,40-28-,40-32-
• InChIKey: NURIJECXIAPSAM-MLODSWNHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 38,38-dichloro-9,18,27,36,37,39,40,41-octaaza-38-siladecacyclo[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: 38,38-dichloro-9,18,27,36,37,39,40,41-octaaza-38-siladecacyclo[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: Dichloro[29H, 31H-phthalocyaninato]silicon; SILICON PHTHALOCYANINE DICHLORIDE

Database IDs

• CAS Number: 19333-10-9
• EC Number: 242-969-4
• PubChem SID: 162091983
• PubChem CID: 4231103

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 7.5257993
• LogD (pH = 7.4): 7.5257998
• Log P: 7.5258
• Molar Refractivity: 169.2254 cm^3
• Polarizability: 67.86231 Å^3
• Polar Surface Area: 87.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)

Product Information

• Purity: 95%

DETAILS

MP Biomedicals - 02156623

Purity: 95%