digallium;tetrakis(5,7-dichloro-2-methylquinolin-8-olate);oxygen(2-);toluene

C54H40Cl8Ga2N4O5 — CID 139140365

IUPACdigallium;tetrakis(5,7-dichloro-2-methylquinolin-8-olate);oxygen(2-);toluene
SMILESCc1ccc2c(Cl)cc(Cl)c([O-])c2n1.Cc1ccc2c(Cl)cc(Cl)c([O-])c2n1.Cc1ccc2c(Cl)cc(Cl)c([O-])c2n1.Cc1ccc2c(Cl)cc(Cl)c([O-])c2n1.Cc1ccccc1.Cc1ccccc1.[Ga+3].[Ga+3].[O-2]
InChIInChI=1S/4C10H7Cl2NO.2C7H8.2Ga.O/c4*1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5;2*1-7-5-3-2-4-6-7;;;/h4*2-4,14H,1H3;2*2-6H,1H3;;;/q;;;;;;2*+3;-2/p-4
InChIKeyUAWWIMNCZXBQJO-UHFFFAOYSA-J
MW1248.01 g/mol
LogP14.80
Rot. Bonds

About digallium;tetrakis(5,7-dichloro-2-methylquinolin-8-olate);oxygen(2-);toluene

digallium;tetrakis(5,7-dichloro-2-methylquinolin-8-olate);oxygen(2-);toluene (PubChem CID 139140365) has the molecular formula C54H40Cl8Ga2N4O5 and a molecular weight of 1248.01 g/mol. Its IUPAC name is digallium;tetrakis(5,7-dichloro-2-methylquinolin-8-olate);oxygen(2-);toluene.

Molecular Properties

Compound Namedigallium;tetrakis(5,7-dichloro-2-methylquinolin-8-olate);oxygen(2-);toluene
PubChem CID139140365
Molecular FormulaC54H40Cl8Ga2N4O5
Molecular Weight1248.01 g/mol
Exact Mass1241.90
IUPAC Namedigallium;tetrakis(5,7-dichloro-2-methylquinolin-8-olate);oxygen(2-);toluene
SMILESCc1ccc2c(Cl)cc(Cl)c([O-])c2n1.Cc1ccc2c(Cl)cc(Cl)c([O-])c2n1.Cc1ccc2c(Cl)cc(Cl)c([O-])c2n1.Cc1ccc2c(Cl)cc(Cl)c([O-])c2n1.Cc1ccccc1.Cc1ccccc1.[Ga+3].[Ga+3].[O-2]
InChIInChI=1S/4C10H7Cl2NO.2C7H8.2Ga.O/c4*1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5;2*1-7-5-3-2-4-6-7;;;/h4*2-4,14H,1H3;2*2-6H,1H3;;;/q;;;;;;2*+3;-2/p-4
InChIKeyUAWWIMNCZXBQJO-UHFFFAOYSA-J
XLogP14.80
TPSA172.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001248.01
LogP ≤ 514.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of digallium;tetrakis(5,7-dichloro-2-methylquinolin-8-olate);oxygen(2-);toluene?
The IUPAC name of digallium;tetrakis(5,7-dichloro-2-methylquinolin-8-olate);oxygen(2-);toluene (CID 139140365) is digallium;tetrakis(5,7-dichloro-2-methylquinolin-8-olate);oxygen(2-);toluene.
What is the SMILES notation for digallium;tetrakis(5,7-dichloro-2-methylquinolin-8-olate);oxygen(2-);toluene?
The canonical SMILES for digallium;tetrakis(5,7-dichloro-2-methylquinolin-8-olate);oxygen(2-);toluene is Cc1ccc2c(Cl)cc(Cl)c([O-])c2n1.Cc1ccc2c(Cl)cc(Cl)c([O-])c2n1.Cc1ccc2c(Cl)cc(Cl)c([O-])c2n1.Cc1ccc2c(Cl)cc(Cl)c([O-])c2n1.Cc1ccccc1.Cc1ccccc1.[Ga+3].[Ga+3].[O-2].
What is the InChIKey of digallium;tetrakis(5,7-dichloro-2-methylquinolin-8-olate);oxygen(2-);toluene?
The InChIKey is UAWWIMNCZXBQJO-UHFFFAOYSA-J. The full InChI is InChI=1S/4C10H7Cl2NO.2C7H8.2Ga.O/c4*1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5;2*1-7-5-3-2-4-6-7;;;/h4*2-4,14H,1H3;2*2-6H,1H3;;;/q;;;;;;2*+3;-2/p-4.
What are the key properties of digallium;tetrakis(5,7-dichloro-2-methylquinolin-8-olate);oxygen(2-);toluene?
digallium;tetrakis(5,7-dichloro-2-methylquinolin-8-olate);oxygen(2-);toluene has a molecular weight of 1248.01 g/mol, XLogP of 14.80, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for digallium;tetrakis(5,7-dichloro-2-methylquinolin-8-olate);oxygen(2-);toluene is sourced from PubChem (CID 139140365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).