lithium 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate

C30H20LiN4O+ — CID 140600484

IUPAClithium 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate
SMILES[Li+].[O-]c1c(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)ccc2ccc[nH+]c12
InChIInChI=1S/C30H20N4O.Li/c35-27-25(17-16-20-15-8-18-31-26(20)27)23-13-7-14-24(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
InChIKeyWOLDNWSGQTUFGC-UHFFFAOYSA-N
MW459.46 g/mol
LogP2.58
Rot. Bonds4

About lithium 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate

lithium 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate (PubChem CID 140600484) has the molecular formula C30H20LiN4O+ and a molecular weight of 459.46 g/mol. Its IUPAC name is lithium 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate.

Molecular Properties

Compound Namelithium 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate
PubChem CID140600484
Molecular FormulaC30H20LiN4O+
Molecular Weight459.46 g/mol
Exact Mass459.18
IUPAC Namelithium 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate
SMILES[Li+].[O-]c1c(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)ccc2ccc[nH+]c12
InChIInChI=1S/C30H20N4O.Li/c35-27-25(17-16-20-15-8-18-31-26(20)27)23-13-7-14-24(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
InChIKeyWOLDNWSGQTUFGC-UHFFFAOYSA-N
XLogP2.58
TPSA75.87 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.46
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze lithium 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate with MolForge

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Related Compounds

2-Methyl-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 4999481
7-{Phenyl[(pyridin-2-yl)amino]methyl}quinolin-8-ol
CID 256756
7-[(4-Methylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2895171
7-[(4-Ethylphenyl)(2-pyridinylamino)methyl]-8-quinolinol
CID 2895804
7-[(2,5-Dimethylphenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2896251
7-[[(4-Methyl-2-pyridinyl)amino](2-naphthyl)methyl]-8-quinolinol
CID 2906864
7-[(4-Ethylphenyl)[(4-methylpyridin-2-YL)amino]methyl]quinolin-8-OL
CID 2906981
7-[alpha-[(4-Methyl-2-pyridyl)amino]benzyl]-8-quinolinol
CID 219566
7-[Mesityl(2-pyridinylamino)methyl]-8-quinolinol
CID 5198770
2-Methyl-7-[(4-methylphenyl)(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 2907370
7-[Phenyl(2-pyrimidinylamino)methyl]-8-quinolinol
CID 4187781
7-[(4-Methylphenyl)-[(6-methylpyridin-2-yl)amino]methyl]quinolin-8-ol
CID 2895523

Frequently Asked Questions

What is the IUPAC name of lithium 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate?
The IUPAC name of lithium 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate (CID 140600484) is lithium 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate.
What is the SMILES notation for lithium 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate?
The canonical SMILES for lithium 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate is [Li+].[O-]c1c(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)ccc2ccc[nH+]c12.
What is the InChIKey of lithium 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate?
The InChIKey is WOLDNWSGQTUFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N4O.Li/c35-27-25(17-16-20-15-8-18-31-26(20)27)23-13-7-14-24(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.
What are the key properties of lithium 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate?
lithium 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate has a molecular weight of 459.46 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate is sourced from PubChem (CID 140600484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).