cesium 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-olate

C30H19CsN4O — CID 145451178

IUPACcesium 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-olate
SMILES[Cs+].[O-]c1cccc2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)nc12
InChIInChI=1S/C30H20N4O.Cs/c35-26-16-8-13-20-17-18-25(31-27(20)26)23-14-7-15-24(19-23)30-33-28(21-9-3-1-4-10-21)32-29(34-30)22-11-5-2-6-12-22;/h1-19,35H;/q;+1/p-1
InChIKeyKDYNLHRNKVDBFF-UHFFFAOYSA-M
MW584.41 g/mol
LogP3.17
Rot. Bonds4

About cesium 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-olate

cesium 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-olate (PubChem CID 145451178) has the molecular formula C30H19CsN4O and a molecular weight of 584.41 g/mol. Its IUPAC name is cesium 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-olate.

Molecular Properties

Compound Namecesium 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-olate
PubChem CID145451178
Molecular FormulaC30H19CsN4O
Molecular Weight584.41 g/mol
Exact Mass584.06
IUPAC Namecesium 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-olate
SMILES[Cs+].[O-]c1cccc2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)nc12
InChIInChI=1S/C30H20N4O.Cs/c35-26-16-8-13-20-17-18-25(31-27(20)26)23-14-7-15-24(19-23)30-33-28(21-9-3-1-4-10-21)32-29(34-30)22-11-5-2-6-12-22;/h1-19,35H;/q;+1/p-1
InChIKeyKDYNLHRNKVDBFF-UHFFFAOYSA-M
XLogP3.17
TPSA74.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.41
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cesium 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-olate with MolForge

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Related Compounds

N-Butyl-2,2'-imino-di(8-quinolinol)
CID 2831980
2,2'-(Methylimino)diquinolin-8-ol
CID 688644
Zinc bis(2-methylquinolin-8-olate)
CID 67132017
2-[(8-Hydroxyquinolin-2-yl)amino]quinolin-8-ol
CID 918924
2-(4-Phenylpiperazin-1-yl)quinolin-8-ol
CID 16812500
2-(4-Benzylpiperidin-1-yl)quinolin-8-ol
CID 16835893
Hydroxyanilino-benzonaphthyridine
CID 67843543
Azoquinolin-8-ol
CID 136006918
[1-[8-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]oxysulfanyl-1,1,2,3,3,4,4,4-octafluorobutan-2-yl] hypofluorite
CID 142621979
2-[2-(4-Butylphenyl)-6-(6-methyl-2-pyridinyl)pyrimidin-4-yl]quinolin-8-ol
CID 136879536
4-Methoxy-12-(4-methoxyphenyl)quinolino[2,3-b]quinoline
CID 139231063
2-[Butyl(quinolin-2-yl)amino]quinolin-8-ol
CID 16211427

Frequently Asked Questions

What is the IUPAC name of cesium 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-olate?
The IUPAC name of cesium 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-olate (CID 145451178) is cesium 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-olate.
What is the SMILES notation for cesium 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-olate?
The canonical SMILES for cesium 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-olate is [Cs+].[O-]c1cccc2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)nc12.
What is the InChIKey of cesium 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-olate?
The InChIKey is KDYNLHRNKVDBFF-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H20N4O.Cs/c35-26-16-8-13-20-17-18-25(31-27(20)26)23-14-7-15-24(19-23)30-33-28(21-9-3-1-4-10-21)32-29(34-30)22-11-5-2-6-12-22;/h1-19,35H;/q;+1/p-1.
What are the key properties of cesium 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-olate?
cesium 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-olate has a molecular weight of 584.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cesium 2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-olate is sourced from PubChem (CID 145451178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).