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

C30H20LiN4O+ — CID 140600457

IUPAClithium 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate
SMILES[Li+].[O-]c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c2ccc[nH+]c12
InChIInChI=1S/C30H20N4O.Li/c35-26-18-17-24(25-12-7-19-31-27(25)26)20-13-15-23(16-14-20)30-33-28(21-8-3-1-4-9-21)32-29(34-30)22-10-5-2-6-11-22;/h1-19,35H;/q;+1
InChIKeyCCWVSWKPKVMUKW-UHFFFAOYSA-N
MW459.46 g/mol
LogP2.58
Rot. Bonds4

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

lithium 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate (PubChem CID 140600457) has the molecular formula C30H20LiN4O+ and a molecular weight of 459.46 g/mol. Its IUPAC name is lithium 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate.

Molecular Properties

Compound Namelithium 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate
PubChem CID140600457
Molecular FormulaC30H20LiN4O+
Molecular Weight459.46 g/mol
Exact Mass459.18
IUPAC Namelithium 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate
SMILES[Li+].[O-]c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c2ccc[nH+]c12
InChIInChI=1S/C30H20N4O.Li/c35-26-18-17-24(25-12-7-19-31-27(25)26)20-13-15-23(16-14-20)30-33-28(21-8-3-1-4-9-21)32-29(34-30)22-10-5-2-6-11-22;/h1-19,35H;/q;+1
InChIKeyCCWVSWKPKVMUKW-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 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate with MolForge

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Related Compounds

N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)-7-(1H-pyrrolo[2,3-c]pyridin-4-yl)quinazolin-2-amine
CID 163290825
7-(2,3-dihydro-1H-indol-5-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine
CID 163290727
7-(2-amino-1H-benzimidazol-4-yl)-N-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine
CID 163290759
1-ethyl-2-methyl-3-propylbenzene;6-methyl-4-[(1E)-1-[4-methylimino-1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-ylidene]ethyl]-1H-indol-7-ol
CID 142488572
6-methyl-4-[(1E)-1-[4-methylimino-1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-ylidene]ethyl]-1H-indol-7-ol
CID 142488573
8-methoxy-2-methyl-5-[4-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-4-yl)phenyl]quinoline
CID 56704817
4-(8-methoxy-5-quinolinyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56892933
5-(3H-imidazo[4,5-c]pyridin-2-yl)-8-methoxy-2-methylquinoline
CID 18783998
Beryllium 5-naphthalen-1-ylquinolin-1-ium-8-olate
CID 20606751
3-[2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]-1H-indol-7-ol
CID 24863451
5-[2-(1H-indol-3-yl)ethyl]quinolin-8-ol
CID 58171425
Lithium 5-phenylquinolin-1-ium-8-olate
CID 59044611

Frequently Asked Questions

What is the IUPAC name of lithium 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate?
The IUPAC name of lithium 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate (CID 140600457) is lithium 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate.
What is the SMILES notation for lithium 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate?
The canonical SMILES for lithium 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate is [Li+].[O-]c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)c2ccc[nH+]c12.
What is the InChIKey of lithium 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate?
The InChIKey is CCWVSWKPKVMUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N4O.Li/c35-26-18-17-24(25-12-7-19-31-27(25)26)20-13-15-23(16-14-20)30-33-28(21-8-3-1-4-9-21)32-29(34-30)22-10-5-2-6-11-22;/h1-19,35H;/q;+1.
What are the key properties of lithium 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate?
lithium 5-[4-(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 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-1-ium-8-olate is sourced from PubChem (CID 140600457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).