trilithium;7-[5-(1-phenylbenzimidazol-2-yl)anthracen-1-yl]quinolin-1-ium-8-olate;5-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-1-ium-8-olate;5-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate

C106H69Li3N9O3+3 — CID 157337915

About trilithium;7-[5-(1-phenylbenzimidazol-2-yl)anthracen-1-yl]quinolin-1-ium-8-olate;5-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-1-ium-8-olate;5-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate

trilithium;7-[5-(1-phenylbenzimidazol-2-yl)anthracen-1-yl]quinolin-1-ium-8-olate;5-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-1-ium-8-olate;5-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate (PubChem CID 157337915) has the molecular formula C106H69Li3N9O3+3 and a molecular weight of 1537.60 g/mol. Its IUPAC name is trilithium;7-[5-(1-phenylbenzimidazol-2-yl)anthracen-1-yl]quinolin-1-ium-8-olate;5-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-1-ium-8-olate;5-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate.

Molecular Properties

• Compound Name: trilithium;7-[5-(1-phenylbenzimidazol-2-yl)anthracen-1-yl]quinolin-1-ium-8-olate;5-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-1-ium-8-olate;5-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate
• PubChem CID: 157337915
• Molecular Formula: C106H69Li3N9O3+3
• Molecular Weight: 1537.60 g/mol
• Exact Mass: 1536.60
• IUPAC Name: trilithium;7-[5-(1-phenylbenzimidazol-2-yl)anthracen-1-yl]quinolin-1-ium-8-olate;5-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-1-ium-8-olate;5-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate
• SMILES: [Li+].[Li+].[Li+].[O-]c1c(-c2cccc3cc4c(-c5nc6ccccc6n5-c5ccccc5)cccc4cc23)ccc2ccc[nH+]c12.[O-]c1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)c2ccc[nH+]c12.[O-]c1ccc(-c2cccc3cc4c(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cccc4cc23)c2ccc[nH+]c12
• InChI: InChI=1S/C42H27N3O.C36H23N3O.C28H19N3O.3Li/c46-40-23-22-34(35-15-8-24-43-41(35)40)33-14-7-10-30-25-36-29(26-37(30)33)9-6-13-32(36)27-18-20-28(21-19-27)42-44-38-16-4-5-17-39(38)45(42)31-11-2-1-3-12-31;40-35-28(19-18-23-11-8-20-37-34(23)35)27-14-6-9-24-22-31-25(21-30(24)27)10-7-15-29(31)36-38-32-16-4-5-17-33(32)39(36)26-12-2-1-3-13-26;32-26-17-16-22(23-9-6-18-29-27(23)26)19-12-14-20(15-13-19)28-30-24-10-4-5-11-25(24)31(28)21-7-2-1-3-8-21;;;/h1-26,46H;1-22,40H;1-18,32H;;;/q;;;3*+1
• InChIKey: BGBCSYAFIPKWHV-UHFFFAOYSA-N
• XLogP: 13.49
• TPSA: 165.06 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1537.60
LogP ≤ 5	13.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trilithium;7-[5-(1-phenylbenzimidazol-2-yl)anthracen-1-yl]quinolin-1-ium-8-olate;5-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-1-ium-8-olate;5-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate?

The IUPAC name of trilithium;7-[5-(1-phenylbenzimidazol-2-yl)anthracen-1-yl]quinolin-1-ium-8-olate;5-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-1-ium-8-olate;5-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate (CID 157337915) is trilithium;7-[5-(1-phenylbenzimidazol-2-yl)anthracen-1-yl]quinolin-1-ium-8-olate;5-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-1-ium-8-olate;5-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate.

What is the SMILES notation for trilithium;7-[5-(1-phenylbenzimidazol-2-yl)anthracen-1-yl]quinolin-1-ium-8-olate;5-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-1-ium-8-olate;5-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate?

The canonical SMILES for trilithium;7-[5-(1-phenylbenzimidazol-2-yl)anthracen-1-yl]quinolin-1-ium-8-olate;5-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-1-ium-8-olate;5-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate is [Li+].[Li+].[Li+].[O-]c1c(-c2cccc3cc4c(-c5nc6ccccc6n5-c5ccccc5)cccc4cc23)ccc2ccc[nH+]c12.[O-]c1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)c2ccc[nH+]c12.[O-]c1ccc(-c2cccc3cc4c(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cccc4cc23)c2ccc[nH+]c12.

What is the InChIKey of trilithium;7-[5-(1-phenylbenzimidazol-2-yl)anthracen-1-yl]quinolin-1-ium-8-olate;5-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-1-ium-8-olate;5-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate?

The InChIKey is BGBCSYAFIPKWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3O.C36H23N3O.C28H19N3O.3Li/c46-40-23-22-34(35-15-8-24-43-41(35)40)33-14-7-10-30-25-36-29(26-37(30)33)9-6-13-32(36)27-18-20-28(21-19-27)42-44-38-16-4-5-17-39(38)45(42)31-11-2-1-3-12-31;40-35-28(19-18-23-11-8-20-37-34(23)35)27-14-6-9-24-22-31-25(21-30(24)27)10-7-15-29(31)36-38-32-16-4-5-17-33(32)39(36)26-12-2-1-3-13-26;32-26-17-16-22(23-9-6-18-29-27(23)26)19-12-14-20(15-13-19)28-30-24-10-4-5-11-25(24)31(28)21-7-2-1-3-8-21;;;/h1-26,46H;1-22,40H;1-18,32H;;;/q;;;3*+1.

What are the key properties of trilithium;7-[5-(1-phenylbenzimidazol-2-yl)anthracen-1-yl]quinolin-1-ium-8-olate;5-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-1-ium-8-olate;5-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate?

trilithium;7-[5-(1-phenylbenzimidazol-2-yl)anthracen-1-yl]quinolin-1-ium-8-olate;5-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-1-ium-8-olate;5-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate has a molecular weight of 1537.60 g/mol, XLogP of 13.49, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for trilithium;7-[5-(1-phenylbenzimidazol-2-yl)anthracen-1-yl]quinolin-1-ium-8-olate;5-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-1-yl]quinolin-1-ium-8-olate;5-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinolin-1-ium-8-olate is sourced from PubChem (CID 157337915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).