lithium 5-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate

C32H21LiN3O+ — CID 140600466

IUPAClithium 5-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate
SMILES[Li+].[O-]c1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)c3ccccc23)c2ccc[nH+]c12
InChIInChI=1S/C32H21N3O.Li/c36-30-19-18-25(26-13-8-20-33-31(26)30)24-16-17-27(23-12-5-4-11-22(23)24)32-34-28-14-6-7-15-29(28)35(32)21-9-2-1-3-10-21;/h1-20,36H;/q;+1
InChIKeyMLQXSLRBKVCZFU-UHFFFAOYSA-N
MW470.48 g/mol
LogP3.56
Rot. Bonds3

About lithium 5-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate

lithium 5-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate (PubChem CID 140600466) has the molecular formula C32H21LiN3O+ and a molecular weight of 470.48 g/mol. Its IUPAC name is lithium 5-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate.

Molecular Properties

Compound Namelithium 5-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate
PubChem CID140600466
Molecular FormulaC32H21LiN3O+
Molecular Weight470.48 g/mol
Exact Mass470.18
IUPAC Namelithium 5-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate
SMILES[Li+].[O-]c1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)c3ccccc23)c2ccc[nH+]c12
InChIInChI=1S/C32H21N3O.Li/c36-30-19-18-25(26-13-8-20-33-31(26)30)24-16-17-27(23-12-5-4-11-22(23)24)32-34-28-14-6-7-15-29(28)35(32)21-9-2-1-3-10-21;/h1-20,36H;/q;+1
InChIKeyMLQXSLRBKVCZFU-UHFFFAOYSA-N
XLogP3.56
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1H-benzimidazol-2-ylmethyl)-3-[(4-fluorophenyl)methyl]-7-methylpyrrolo[3,4-g]quinoline-8,9-diol
CID 91170969
3-[7-[3-(8-fluoroquinolin-2-yl)indol-1-yl]-1H-benzimidazol-2-yl]naphthalen-2-ol
CID 144941124
5-((2-(4-Hydroxyphenyl)-4,5-diphenyl-1h-imidazol-1-yl)methyl)quinolin-8-ol
CID 156613324
10-acridin-9-ylanthracen-9-ol;1H-imidazole
CID 168327448
Beryllium bis(2-(3-methylbenzo[e]benzimidazol-1-ium-2-yl)naphthalen-1-olate)
CID 57621813
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
11-[2-(1H-benzimidazol-2-yl)phenoxy]-10,12-dioxa-3-aza-11-indatetracyclo[11.8.0.04,9.016,21]henicosa-1(13),2,4,6,8,14,16,18,20-nonaene
CID 58886970
Beryllium;5,6-dihydrobenzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate
CID 59236266
5-[(5-phenyl-1H-imidazol-2-yl)methyl]quinolin-8-ol
CID 67062745
8-(tert-Butyldimethylsilanyloxy)-5-[4-(1-phenyl-1H-benzimidazol-2-yl)phenyl]quinoline
CID 67362201
2-[[1-[2-[(8-hydroxyquinolin-2-yl)methylamino]ethyl]benzimidazol-2-yl]methyl]-3H-benzimidazole-5-carboximidamide
CID 70138730

Frequently Asked Questions

What is the IUPAC name of lithium 5-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate?
The IUPAC name of lithium 5-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate (CID 140600466) is lithium 5-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate.
What is the SMILES notation for lithium 5-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate?
The canonical SMILES for lithium 5-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate is [Li+].[O-]c1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)c3ccccc23)c2ccc[nH+]c12.
What is the InChIKey of lithium 5-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate?
The InChIKey is MLQXSLRBKVCZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N3O.Li/c36-30-19-18-25(26-13-8-20-33-31(26)30)24-16-17-27(23-12-5-4-11-22(23)24)32-34-28-14-6-7-15-29(28)35(32)21-9-2-1-3-10-21;/h1-20,36H;/q;+1.
What are the key properties of lithium 5-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate?
lithium 5-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate has a molecular weight of 470.48 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate is sourced from PubChem (CID 140600466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).