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29H,31H-Phthalocyanine

29H,31H-Phthalocyanine

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Catalog Number

ACM574936-3

CAS Number

574-93-6

Product Name

29H,31H-Phthalocyanine

Structure

Category

Other Materials

Synonyms

CI 74100;Phthalocyanine;Pigment blue 16

IUPAC Name

2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene

Molecular Weight

514.54

Molecular Formula

C32H18N8

Canonical SMILES

C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C(N5)N=C7C8=CC=CC=C8C(=N7)N=C2N3)C9=CC=CC=C94

InChI

InChI=1S/C32H18N8/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,(H2,33,34,35,36,37,38,39,40)

InChI Key

IEQIEDJGQAUEQZ-UHFFFAOYSA-N

Complexity

777

Covalently-Bonded Unit Count

1

EC Number

209-378-3

Exact Mass

514.165443g/mol

Formal Charge

0

Heavy Atom Count

40

MeSH Entry Terms

dehydrophthalocyanine;dinuclear phthalocyanine H2Pc-H2Pc;phthalocyanine;Pigment Blue 16;trinuclear phthalocyanine H2Pc-H2Pc-H2Pc

Monoisotopic Mass

514.165443g/mol

Rotatable Bond Count

0

UNII

V5PUF4VLGY

XLogP3

6.4

MSDS

COA

Spec Sheet

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