lithium 7-(2-phenylphenyl)quinolin-1-ium-8-olate

C21H15LiNO+ — CID 140801003

IUPAClithium 7-(2-phenylphenyl)quinolin-1-ium-8-olate
SMILES[Li+].[O-]c1c(-c2ccccc2-c2ccccc2)ccc2ccc[nH+]c12
InChIInChI=1S/C21H15NO.Li/c23-21-19(13-12-16-9-6-14-22-20(16)21)18-11-5-4-10-17(18)15-7-2-1-3-8-15;/h1-14,23H;/q;+1
InChIKeyBNKCELJMOUSENK-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.07
Rot. Bonds2

About lithium 7-(2-phenylphenyl)quinolin-1-ium-8-olate

lithium 7-(2-phenylphenyl)quinolin-1-ium-8-olate (PubChem CID 140801003) has the molecular formula C21H15LiNO+ and a molecular weight of 304.30 g/mol. Its IUPAC name is lithium 7-(2-phenylphenyl)quinolin-1-ium-8-olate.

Molecular Properties

Compound Namelithium 7-(2-phenylphenyl)quinolin-1-ium-8-olate
PubChem CID140801003
Molecular FormulaC21H15LiNO+
Molecular Weight304.30 g/mol
Exact Mass304.13
IUPAC Namelithium 7-(2-phenylphenyl)quinolin-1-ium-8-olate
SMILES[Li+].[O-]c1c(-c2ccccc2-c2ccccc2)ccc2ccc[nH+]c12
InChIInChI=1S/C21H15NO.Li/c23-21-19(13-12-16-9-6-14-22-20(16)21)18-11-5-4-10-17(18)15-7-2-1-3-8-15;/h1-14,23H;/q;+1
InChIKeyBNKCELJMOUSENK-UHFFFAOYSA-N
XLogP1.07
TPSA37.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze lithium 7-(2-phenylphenyl)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

dilithium;7-[7-(8-oxidoquinolin-1-ium-7-yl)-4-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzo[a]anthracen-12-yl]quinolin-1-ium-8-olate
CID 140600573
beryllium 5-naphthalen-1-ylquinolin-1-ium-8-olate
CID 20606751
2-(2-phenylphenyl)naphthalen-1-amine
CID 141161672
lithium quinolin-1-ium-8-ol
CID 166010386
methane;1-phenyl-2-(2-phenylphenyl)benzene
CID 144789864
3-(2-phenylphenyl)perylene
CID 174610298
1-naphthalen-1-yl-6-[6-[6-(2-phenylphenyl)pyren-1-yl]pyren-1-yl]pyrene
CID 58908206
CID 69011285
CID 69011285
dilithium;1-(2-oxido-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-olate
CID 52936759
4-(2-phenylphenyl)pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,6,9,12,14,16(20),17-decaene
CID 173150668
2-(2-phenylphenyl)-1-propylnaphthalene
CID 173154100
2-methyl-1-(2-phenylphenyl)naphthalene
CID 102027516

Frequently Asked Questions

What is the IUPAC name of lithium 7-(2-phenylphenyl)quinolin-1-ium-8-olate?
The IUPAC name of lithium 7-(2-phenylphenyl)quinolin-1-ium-8-olate (CID 140801003) is lithium 7-(2-phenylphenyl)quinolin-1-ium-8-olate.
What is the SMILES notation for lithium 7-(2-phenylphenyl)quinolin-1-ium-8-olate?
The canonical SMILES for lithium 7-(2-phenylphenyl)quinolin-1-ium-8-olate is [Li+].[O-]c1c(-c2ccccc2-c2ccccc2)ccc2ccc[nH+]c12.
What is the InChIKey of lithium 7-(2-phenylphenyl)quinolin-1-ium-8-olate?
The InChIKey is BNKCELJMOUSENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO.Li/c23-21-19(13-12-16-9-6-14-22-20(16)21)18-11-5-4-10-17(18)15-7-2-1-3-8-15;/h1-14,23H;/q;+1.
What are the key properties of lithium 7-(2-phenylphenyl)quinolin-1-ium-8-olate?
lithium 7-(2-phenylphenyl)quinolin-1-ium-8-olate has a molecular weight of 304.30 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 7-(2-phenylphenyl)quinolin-1-ium-8-olate is sourced from PubChem (CID 140801003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).