Aluminum 2,9,16,23-tetraphenoxy-29 H,31 H-phthalocyanine hydroxide
PubChem CID
71310166
Structure
Molecular Formula
Synonyms
- 128897-67-6
- ALUMINUM 2,9,16,23-TETRAPHENOXY-29 H ,31 H-PHTHALOCYANINE HYDROXIDE
- DTXSID80746090
- PUBCHEM_71310166
Molecular Weight
930.9 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Parent Compound
Component Compounds
Dates
- Create:2013-05-17
- Modify:2024-12-28
Chemical Structure Depiction
Conformer generation is disallowed since too many atoms, MMFF94s unsupported element, mixture or salt
InChI=1S/C56H38N8O4.Al.H2O/c1-5-13-33(14-6-1)65-37-21-25-41-45(29-37)53-57-49(41)62-54-47-31-39(67-35-17-9-3-10-18-35)23-27-43(47)51(59-54)64-56-48-32-40(68-36-19-11-4-12-20-36)24-28-44(48)52(60-56)63-55-46-30-38(66-34-15-7-2-8-16-34)22-26-42(46)50(58-55)61-53;;/h1-32,57,60-64H;;1H2/q-2;+3;/p-1
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CLUBOUSDZFNKCM-UHFFFAOYSA-M
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
C1=CC=C(C=C1)OC2=CC3=C4NC(=C3C=C2)NC5=C6C=C(C=CC6=C7N5[Al+]N8C(=C9C=CC(=CC9=C8NC1=C2C=CC(=CC2=C(N1)N7)OC1=CC=CC=C1)OC1=CC=CC=C1)N4)OC1=CC=CC=C1.[OH-]
Computed by OEChem 2.3.0 (PubChem release 2024.11.20)
C56H39AlN8O5
Computed by PubChem 2.2 (PubChem release 2024.11.20)
128897-67-6
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
930.9 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
7
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
9
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
8
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
930.2858798 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
930.2858798 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
127Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
70
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
1590
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
2
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
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Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- EPA DSSToxPUBCHEM_71310166https://comptox.epa.gov/dashboard/DTXSID80746090
- WikidataPUBCHEM_71310166https://www.wikidata.org/wiki/Q82694450
- PubChem
CONTENTS