CAS 39001-64-4 Copper(II) 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine

NAVIGATION

Copper(II) 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine

PRICE INQUIRY

Catalog Number

ACM39001644-3

CAS Number

39001-64-4

Product Name

Copper(II) 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine

Structure

Category

Other Materials

IUPAC Name

copper;6,15,24,33-tetratert-butyl-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene

Molecular Weight

800.5g/mol

Molecular Formula

C48H48CuN8

Canonical SMILES

CC(C)(C)C1=CC2=C(C=C1)C3=NC4=NC(=NC5=C6C=C(C=CC6=C([N-]5)N=C7C8=C(C=CC(=C8)C(C)(C)C)C(=N7)N=C2[N-]3)C(C)(C)C)C9=C4C=C(C=C9)C(C)(C)C.[Cu+2]

InChI

InChI=1S/C48H48N8.Cu/c1-45(2,3)25-13-17-29-33(21-25)41-49-37(29)54-42-35-23-27(47(7,8)9)15-19-31(35)39(51-42)56-44-36-24-28(48(10,11)12)16-20-32(36)40(52-44)55-43-34-22-26(46(4,5)6)14-18-30(34)38(50-43)53-41;/h13-24H,1-12H3;/q-2;+2

InChI Key

IDACJLJAKMQWEW-UHFFFAOYSA-N

Complexity

1510

Covalently-Bonded Unit Count

Exact Mass

799.329791g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

799.329791g/mol

Rotatable Bond Count