lithium 7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate

C32H21LiN3O+ — CID 140600455

IUPAClithium 7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate
SMILES[Li+].[O-]c1c(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)c3ccccc23)ccc2ccc[nH+]c12
InChIInChI=1S/C32H21N3O.Li/c36-31-26(17-16-21-9-8-20-33-30(21)31)25-18-19-27(24-13-5-4-12-23(24)25)32-34-28-14-6-7-15-29(28)35(32)22-10-2-1-3-11-22;/h1-20,36H;/q;+1
InChIKeyUDYQDPMCMJUZDC-UHFFFAOYSA-N
MW470.48 g/mol
LogP3.56
Rot. Bonds3

About lithium 7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate

lithium 7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate (PubChem CID 140600455) has the molecular formula C32H21LiN3O+ and a molecular weight of 470.48 g/mol. Its IUPAC name is lithium 7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate.

Molecular Properties

Compound Namelithium 7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate
PubChem CID140600455
Molecular FormulaC32H21LiN3O+
Molecular Weight470.48 g/mol
Exact Mass470.18
IUPAC Namelithium 7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate
SMILES[Li+].[O-]c1c(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)c3ccccc23)ccc2ccc[nH+]c12
InChIInChI=1S/C32H21N3O.Li/c36-31-26(17-16-21-9-8-20-33-30(21)31)25-18-19-27(24-13-5-4-12-23(24)25)32-34-28-14-6-7-15-29(28)35(32)22-10-2-1-3-11-22;/h1-20,36H;/q;+1
InChIKeyUDYQDPMCMJUZDC-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
10-acridin-9-ylanthracen-9-ol;1H-imidazole
CID 168327448
7-[4-[3-Tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]-6-(2,2,2-trifluoroethyl)benzimidazol-2-yl]quinolin-8-ol
CID 177293742
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
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
5-[3-(1-Phenylbenzimidazol-2-yl)phenyl]quinolin-8-ol
CID 71036736

Frequently Asked Questions

What is the IUPAC name of lithium 7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate?
The IUPAC name of lithium 7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate (CID 140600455) is lithium 7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate.
What is the SMILES notation for lithium 7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate?
The canonical SMILES for lithium 7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate is [Li+].[O-]c1c(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)c3ccccc23)ccc2ccc[nH+]c12.
What is the InChIKey of lithium 7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate?
The InChIKey is UDYQDPMCMJUZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N3O.Li/c36-31-26(17-16-21-9-8-20-33-30(21)31)25-18-19-27(24-13-5-4-12-23(24)25)32-34-28-14-6-7-15-29(28)35(32)22-10-2-1-3-11-22;/h1-20,36H;/q;+1.
What are the key properties of lithium 7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate?
lithium 7-[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 7-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]quinolin-1-ium-8-olate is sourced from PubChem (CID 140600455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).