lithium 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-1-ium-8-olate

C53H33LiN3O+ — CID 140600520

IUPAClithium 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-1-ium-8-olate
SMILES[Li+].[O-]c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cc42)c2ccccc2-3)c2ccc[nH+]c12
InChIInChI=1S/C53H33N3O.Li/c57-50-29-28-38(43-15-10-30-54-51(43)50)36-25-27-42-40-14-5-7-17-45(40)53(47(42)32-36)44-16-6-4-13-39(44)41-26-24-35(31-46(41)53)33-20-22-34(23-21-33)52-55-48-18-8-9-19-49(48)56(52)37-11-2-1-3-12-37;/h1-32,57H;/q;+1
InChIKeyIAUSJIGFARMPJI-UHFFFAOYSA-N
MW734.81 g/mol
LogP8.41
Rot. Bonds4

About lithium 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-1-ium-8-olate

lithium 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-1-ium-8-olate (PubChem CID 140600520) has the molecular formula C53H33LiN3O+ and a molecular weight of 734.81 g/mol. Its IUPAC name is lithium 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-1-ium-8-olate.

Molecular Properties

Compound Namelithium 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-1-ium-8-olate
PubChem CID140600520
Molecular FormulaC53H33LiN3O+
Molecular Weight734.81 g/mol
Exact Mass734.28
IUPAC Namelithium 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-1-ium-8-olate
SMILES[Li+].[O-]c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cc42)c2ccccc2-3)c2ccc[nH+]c12
InChIInChI=1S/C53H33N3O.Li/c57-50-29-28-38(43-15-10-30-54-51(43)50)36-25-27-42-40-14-5-7-17-45(40)53(47(42)32-36)44-16-6-4-13-39(44)41-26-24-35(31-46(41)53)33-20-22-34(23-21-33)52-55-48-18-8-9-19-49(48)56(52)37-11-2-1-3-12-37;/h1-32,57H;/q;+1
InChIKeyIAUSJIGFARMPJI-UHFFFAOYSA-N
XLogP8.41
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.81
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze lithium 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]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

Beryllium;benzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate
CID 57735208
8-(tert-Butyldimethylsilanyloxy)-5-[4-(1-phenyl-1H-benzimidazol-2-yl)phenyl]quinoline
CID 67362201
5-[3-(1-Phenylbenzimidazol-2-yl)phenyl]quinolin-8-ol
CID 71036736
5-[2-[4-(1-Phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-8-ol
CID 71036779
8-Methoxy-7-[6,6,12,12-tetramethyl-2-(1-phenylbenzimidazol-2-yl)indeno[1,2-b]fluoren-8-yl]quinoline
CID 71041036
5-[3-[4-(1-Phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol
CID 89211571
7-[3-[4-(1-Phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]quinolin-8-ol
CID 89211574
5-[5-[3-(1-Phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-8-ol
CID 89211643
7-[5-[3-(1-Phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-8-ol
CID 89211645
8-Methoxy-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1-propylquinolin-1-ium
CID 123221207
1-Butan-2-yl-8-methoxy-5-[10-(1-phenylbenzimidazol-2-yl)anthracen-9-yl]quinolin-1-ium
CID 123285533
8-Methoxy-1-methyl-5-[5-(1-phenylbenzimidazol-2-yl)anthracen-1-yl]quinolin-1-ium
CID 123494851

Frequently Asked Questions

What is the IUPAC name of lithium 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-1-ium-8-olate?
The IUPAC name of lithium 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-1-ium-8-olate (CID 140600520) is lithium 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-1-ium-8-olate.
What is the SMILES notation for lithium 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-1-ium-8-olate?
The canonical SMILES for lithium 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-1-ium-8-olate is [Li+].[O-]c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cc42)c2ccccc2-3)c2ccc[nH+]c12.
What is the InChIKey of lithium 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-1-ium-8-olate?
The InChIKey is IAUSJIGFARMPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3O.Li/c57-50-29-28-38(43-15-10-30-54-51(43)50)36-25-27-42-40-14-5-7-17-45(40)53(47(42)32-36)44-16-6-4-13-39(44)41-26-24-35(31-46(41)53)33-20-22-34(23-21-33)52-55-48-18-8-9-19-49(48)56(52)37-11-2-1-3-12-37;/h1-32,57H;/q;+1.
What are the key properties of lithium 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-1-ium-8-olate?
lithium 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-1-ium-8-olate has a molecular weight of 734.81 g/mol, XLogP of 8.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]quinolin-1-ium-8-olate is sourced from PubChem (CID 140600520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).