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

C47H31LiN5O+ — CID 157428499

IUPAClithium;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;quinolin-1-ium-8-olate
SMILES[Li+].[O-]c1cccc2ccc[nH+]c12.c1ccc2cc(-c3nc(-c4ccc(-c5cccc6cccnc56)cc4)nc(-c4ccc5ccccc5c4)n3)ccc2c1
InChIInChI=1S/C38H24N4.C9H7NO.Li/c1-3-9-30-23-32(20-14-25(30)7-1)37-40-36(41-38(42-37)33-21-15-26-8-2-4-10-31(26)24-33)29-18-16-27(17-19-29)34-13-5-11-28-12-6-22-39-35(28)34;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-24H;1-6,11H;/q;;+1
InChIKeyBQGBAOSASHUYCV-UHFFFAOYSA-N
MW688.74 g/mol
LogP7.13
Rot. Bonds4

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

lithium;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;quinolin-1-ium-8-olate (PubChem CID 157428499) has the molecular formula C47H31LiN5O+ and a molecular weight of 688.74 g/mol. Its IUPAC name is lithium;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;quinolin-1-ium-8-olate.

Molecular Properties

Compound Namelithium;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;quinolin-1-ium-8-olate
PubChem CID157428499
Molecular FormulaC47H31LiN5O+
Molecular Weight688.74 g/mol
Exact Mass688.27
IUPAC Namelithium;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;quinolin-1-ium-8-olate
SMILES[Li+].[O-]c1cccc2ccc[nH+]c12.c1ccc2cc(-c3nc(-c4ccc(-c5cccc6cccnc56)cc4)nc(-c4ccc5ccccc5c4)n3)ccc2c1
InChIInChI=1S/C38H24N4.C9H7NO.Li/c1-3-9-30-23-32(20-14-25(30)7-1)37-40-36(41-38(42-37)33-21-15-26-8-2-4-10-31(26)24-33)29-18-16-27(17-19-29)34-13-5-11-28-12-6-22-39-35(28)34;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-24H;1-6,11H;/q;;+1
InChIKeyBQGBAOSASHUYCV-UHFFFAOYSA-N
XLogP7.13
TPSA88.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.74
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-(4-phenylphenyl)-5-(trifluoromethyl)pyridine;2-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-4-phenyl-5-(trifluoromethyl)pyridine;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)carbazole;bis(iridium);methane;quinolin-1-ium-8-olate
CID 157162260
3-[2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]-1H-indol-7-ol
CID 24863451
Beryllium;benzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate
CID 57735208
Beryllium;benzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenol;hydroxide
CID 57903534
Beryllium;5,6-dihydrobenzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate
CID 59236266
5-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-ol
CID 71036747
5-[3-[4-(1-Phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol
CID 89211571
7-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-ol
CID 89211592
5-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-ol
CID 89211593
5-[3-(2,6-Diphenylpyrimidin-4-yl)anthracen-9-yl]quinolin-8-ol
CID 89211596
5-[5-[3-(1-Phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-8-ol
CID 89211643
Tert-butyl-[5-[10-[8-[tert-butyl(dimethyl)silyl]oxyquinolin-5-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-yl]oxy-dimethylsilane
CID 89211712

Frequently Asked Questions

What is the IUPAC name of lithium;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;quinolin-1-ium-8-olate?
The IUPAC name of lithium;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;quinolin-1-ium-8-olate (CID 157428499) is lithium;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;quinolin-1-ium-8-olate.
What is the SMILES notation for lithium;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;quinolin-1-ium-8-olate?
The canonical SMILES for lithium;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;quinolin-1-ium-8-olate is [Li+].[O-]c1cccc2ccc[nH+]c12.c1ccc2cc(-c3nc(-c4ccc(-c5cccc6cccnc56)cc4)nc(-c4ccc5ccccc5c4)n3)ccc2c1.
What is the InChIKey of lithium;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;quinolin-1-ium-8-olate?
The InChIKey is BQGBAOSASHUYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4.C9H7NO.Li/c1-3-9-30-23-32(20-14-25(30)7-1)37-40-36(41-38(42-37)33-21-15-26-8-2-4-10-31(26)24-33)29-18-16-27(17-19-29)34-13-5-11-28-12-6-22-39-35(28)34;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-24H;1-6,11H;/q;;+1.
What are the key properties of lithium;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;quinolin-1-ium-8-olate?
lithium;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;quinolin-1-ium-8-olate has a molecular weight of 688.74 g/mol, XLogP of 7.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;8-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]quinoline;quinolin-1-ium-8-olate is sourced from PubChem (CID 157428499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).