CAS 19333-10-9|SILICON PHTHALOCYANINE DICHLORIDE|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}]h...

General Information

Structure

Molecular Formula

C₃₂H₁₆Cl₂N₈Si

Molecular Mass

611.51454

Exact Mass

610.06442444

Charge

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

Canonic Smiles

Cl[Si]1(Cl)n2c3N=C4N=C(N=c5n1c(=NC1=NC(=Nc2c2c3cccc2)c2c1cccc2)c1c5cccc1)c1c4cccc1

Isomeric Smiles

n12c3N=C4N=C(N=c5n(c(=NC6=NC(=Nc1c1ccccc31)c1c6cccc1)c1ccccc51)[Si]2(Cl)Cl)c1ccccc41

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

7.5257993

LogD (pH = 7.4)

7.5257998

Log P

7.5258

Molar Refractivity

169.2254

Polarizability

67.86231

Polar Surface Area

87.2

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

SILICON PHTHALOCYANINE DICHLORIDEDichloro[29H, 31H-phthalocyaninato]silicon

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

Names and Identifiers

Registration numbers

EC Number

CAS Number

PubChem CID

PubChem SID

Registration numbers