Hydroxy gallium phthalocyanine

C32H18GaN8O — CID 16685048

IUPAC—
SMILESO.c1ccc2c(c1)C1=N/C2=N\c2c3ccccc3c3n2[Ga]n2/c(c4ccccc4/c2=N/C2=N/C(=N\3)c3ccccc32)=N\1
InChIInChI=1S/C32H16N8.Ga.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;
InChIKeyNFPNUFYJUKHNEL-UHFFFAOYSA-N
MW600.27 g/mol
LogP3.65
Rot. Bonds

About Hydroxy gallium phthalocyanine

Hydroxy gallium phthalocyanine (PubChem CID 16685048) has the molecular formula C32H18GaN8O and a molecular weight of 600.27 g/mol.

Molecular Properties

Compound NameHydroxy gallium phthalocyanine
PubChem CID16685048
Molecular FormulaC32H18GaN8O
Molecular Weight600.27 g/mol
Exact Mass599.09
IUPAC Name—
SMILESO.c1ccc2c(c1)C1=N/C2=N\c2c3ccccc3c3n2[Ga]n2/c(c4ccccc4/c2=N/C2=N/C(=N\3)c3ccccc32)=N\1
InChIInChI=1S/C32H16N8.Ga.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;
InChIKeyNFPNUFYJUKHNEL-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 ≤ 500600.27
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of Hydroxy gallium phthalocyanine?
The IUPAC name of Hydroxy gallium phthalocyanine (CID 16685048) is not available.
What is the SMILES notation for Hydroxy gallium phthalocyanine?
The canonical SMILES for Hydroxy gallium phthalocyanine is O.c1ccc2c(c1)C1=N/C2=N\c2c3ccccc3c3n2[Ga]n2/c(c4ccccc4/c2=N/C2=N/C(=N\3)c3ccccc32)=N\1.
What is the InChIKey of Hydroxy gallium phthalocyanine?
The InChIKey is NFPNUFYJUKHNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H16N8.Ga.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 Hydroxy gallium phthalocyanine?
Hydroxy gallium phthalocyanine has a molecular weight of 600.27 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 Hydroxy gallium phthalocyanine is sourced from PubChem (CID 16685048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).