dilithium;5-[4-[10-[4-(8-oxidoquinolin-1-ium-5-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-1-ium-8-olate

C63H40Li2N4O2+2 — CID 140600509

IUPACdilithium;5-[4-[10-[4-(8-oxidoquinolin-1-ium-5-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-1-ium-8-olate
SMILES[Li+].[Li+].[O-]c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc([O-])c6[nH+]cccc56)cc4)c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)ccc34)cc2)c2ccc[nH+]c12
InChIInChI=1S/C63H40N4O2.2Li/c68-57-34-32-47(52-14-8-36-64-61(52)57)40-20-24-42(25-21-40)59-49-12-4-5-13-50(49)60(43-26-22-41(23-27-43)48-33-35-58(69)62-53(48)15-9-37-65-62)54-38-45(30-31-51(54)59)39-18-28-44(29-19-39)63-66-55-16-6-7-17-56(55)67(63)46-10-2-1-3-11-46;;/h1-38,68-69H;;/q;2*+1
InChIKeyJGFPHIMLUGTFMB-UHFFFAOYSA-N
MW898.92 g/mol
LogP7.42
Rot. Bonds7

About dilithium;5-[4-[10-[4-(8-oxidoquinolin-1-ium-5-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-1-ium-8-olate

dilithium;5-[4-[10-[4-(8-oxidoquinolin-1-ium-5-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-1-ium-8-olate (PubChem CID 140600509) has the molecular formula C63H40Li2N4O2+2 and a molecular weight of 898.92 g/mol. Its IUPAC name is dilithium;5-[4-[10-[4-(8-oxidoquinolin-1-ium-5-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-1-ium-8-olate.

Molecular Properties

Compound Namedilithium;5-[4-[10-[4-(8-oxidoquinolin-1-ium-5-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-1-ium-8-olate
PubChem CID140600509
Molecular FormulaC63H40Li2N4O2+2
Molecular Weight898.92 g/mol
Exact Mass898.35
IUPAC Namedilithium;5-[4-[10-[4-(8-oxidoquinolin-1-ium-5-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-1-ium-8-olate
SMILES[Li+].[Li+].[O-]c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc([O-])c6[nH+]cccc56)cc4)c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)ccc34)cc2)c2ccc[nH+]c12
InChIInChI=1S/C63H40N4O2.2Li/c68-57-34-32-47(52-14-8-36-64-61(52)57)40-20-24-42(25-21-40)59-49-12-4-5-13-50(49)60(43-26-22-41(23-27-43)48-33-35-58(69)62-53(48)15-9-37-65-62)54-38-45(30-31-51(54)59)39-18-28-44(29-19-39)63-66-55-16-6-7-17-56(55)67(63)46-10-2-1-3-11-46;;/h1-38,68-69H;;/q;2*+1
InChIKeyJGFPHIMLUGTFMB-UHFFFAOYSA-N
XLogP7.42
TPSA92.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500898.92
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze dilithium;5-[4-[10-[4-(8-oxidoquinolin-1-ium-5-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-1-ium-8-olate with MolForge

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Related Compounds

Quinolate Pro
CID 72201075
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
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
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
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
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

Frequently Asked Questions

What is the IUPAC name of dilithium;5-[4-[10-[4-(8-oxidoquinolin-1-ium-5-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-1-ium-8-olate?
The IUPAC name of dilithium;5-[4-[10-[4-(8-oxidoquinolin-1-ium-5-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-1-ium-8-olate (CID 140600509) is dilithium;5-[4-[10-[4-(8-oxidoquinolin-1-ium-5-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-1-ium-8-olate.
What is the SMILES notation for dilithium;5-[4-[10-[4-(8-oxidoquinolin-1-ium-5-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-1-ium-8-olate?
The canonical SMILES for dilithium;5-[4-[10-[4-(8-oxidoquinolin-1-ium-5-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-1-ium-8-olate is [Li+].[Li+].[O-]c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc([O-])c6[nH+]cccc56)cc4)c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)ccc34)cc2)c2ccc[nH+]c12.
What is the InChIKey of dilithium;5-[4-[10-[4-(8-oxidoquinolin-1-ium-5-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-1-ium-8-olate?
The InChIKey is JGFPHIMLUGTFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40N4O2.2Li/c68-57-34-32-47(52-14-8-36-64-61(52)57)40-20-24-42(25-21-40)59-49-12-4-5-13-50(49)60(43-26-22-41(23-27-43)48-33-35-58(69)62-53(48)15-9-37-65-62)54-38-45(30-31-51(54)59)39-18-28-44(29-19-39)63-66-55-16-6-7-17-56(55)67(63)46-10-2-1-3-11-46;;/h1-38,68-69H;;/q;2*+1.
What are the key properties of dilithium;5-[4-[10-[4-(8-oxidoquinolin-1-ium-5-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-1-ium-8-olate?
dilithium;5-[4-[10-[4-(8-oxidoquinolin-1-ium-5-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-1-ium-8-olate has a molecular weight of 898.92 g/mol, XLogP of 7.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;5-[4-[10-[4-(8-oxidoquinolin-1-ium-5-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-1-ium-8-olate is sourced from PubChem (CID 140600509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).