Aluminum phthalocyanine hydroxide

C32H18AlN8O — CID 16684778

IUPAC—
SMILESO.c1ccc2c(c1)C1=N/C2=N\c2c3ccccc3c3n2[Al]n2/c(c4ccccc4/c2=N/C2=N/C(=N\3)c3ccccc32)=N\1
InChIInChI=1S/C32H16N8.Al.H2O/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;;1H2/q-2;+2;
InChIKeyQIXXBAMNGHXZRH-UHFFFAOYSA-N
MW557.53 g/mol
LogP3.65
Rot. Bonds

About Aluminum phthalocyanine hydroxide

Aluminum phthalocyanine hydroxide (PubChem CID 16684778) has the molecular formula C32H18AlN8O and a molecular weight of 557.53 g/mol.

Molecular Properties

Compound NameAluminum phthalocyanine hydroxide
PubChem CID16684778
Molecular FormulaC32H18AlN8O
Molecular Weight557.53 g/mol
Exact Mass557.14
IUPAC Name—
SMILESO.c1ccc2c(c1)C1=N/C2=N\c2c3ccccc3c3n2[Al]n2/c(c4ccccc4/c2=N/C2=N/C(=N\3)c3ccccc32)=N\1
InChIInChI=1S/C32H16N8.Al.H2O/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;;1H2/q-2;+2;
InChIKeyQIXXBAMNGHXZRH-UHFFFAOYSA-N
XLogP3.65
TPSA115.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.53
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of Aluminum phthalocyanine hydroxide?
The IUPAC name of Aluminum phthalocyanine hydroxide (CID 16684778) is not available.
What is the SMILES notation for Aluminum phthalocyanine hydroxide?
The canonical SMILES for Aluminum phthalocyanine hydroxide is O.c1ccc2c(c1)C1=N/C2=N\c2c3ccccc3c3n2[Al]n2/c(c4ccccc4/c2=N/C2=N/C(=N\3)c3ccccc32)=N\1.
What is the InChIKey of Aluminum phthalocyanine hydroxide?
The InChIKey is QIXXBAMNGHXZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H16N8.Al.H2O/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;;1H2/q-2;+2;.
What are the key properties of Aluminum phthalocyanine hydroxide?
Aluminum phthalocyanine hydroxide has a molecular weight of 557.53 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for Aluminum phthalocyanine hydroxide is sourced from PubChem (CID 16684778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).