lithium;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]-[1]benzothiolo[3,2-b]quinoline;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-[1]benzothiolo[3,2-b]quinoline;2-ethyl-1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]indole;quinolin-1-ium-8-olate

C141H92LiN10OS2+ — CID 158782039

About lithium;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]-[1]benzothiolo[3,2-b]quinoline;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-[1]benzothiolo[3,2-b]quinoline;2-ethyl-1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]indole;quinolin-1-ium-8-olate

lithium;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]-[1]benzothiolo[3,2-b]quinoline;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-[1]benzothiolo[3,2-b]quinoline;2-ethyl-1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]indole;quinolin-1-ium-8-olate (PubChem CID 158782039) has the molecular formula C141H92LiN10OS2+ and a molecular weight of 2013.43 g/mol. Its IUPAC name is lithium;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]-[1]benzothiolo[3,2-b]quinoline;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-[1]benzothiolo[3,2-b]quinoline;2-ethyl-1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]indole;quinolin-1-ium-8-olate.

Molecular Properties

• Compound Name: lithium;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]-[1]benzothiolo[3,2-b]quinoline;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-[1]benzothiolo[3,2-b]quinoline;2-ethyl-1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]indole;quinolin-1-ium-8-olate
• PubChem CID: 158782039
• Molecular Formula: C141H92LiN10OS2+
• Molecular Weight: 2013.43 g/mol
• Exact Mass: 2011.71
• IUPAC Name: lithium;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]-[1]benzothiolo[3,2-b]quinoline;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-[1]benzothiolo[3,2-b]quinoline;2-ethyl-1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]indole;quinolin-1-ium-8-olate
• SMILES: CCc1cc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1.[Li+].[O-]c1cccc2ccc[nH+]c12.c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3c4ccccc4nc4c3sc3ccccc34)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cc5ccccc5c5ccccc45)cc(-c4c5ccccc5nc5c4sc4ccccc45)c3)n2)cc1
• InChI: InChI=1S/C50H30N4S.C42H26N4S.C40H29N.C9H7NO.Li/c1-3-15-31(16-4-1)48-52-49(32-17-5-2-6-18-32)54-50(53-48)36-28-34(42-30-33-19-7-8-20-37(33)38-21-9-10-22-39(38)42)27-35(29-36)45-40-23-11-13-25-43(40)51-46-41-24-12-14-26-44(41)55-47(45)46;1-4-14-27(15-5-1)30-24-31(37-33-20-10-12-22-35(33)43-38-34-21-11-13-23-36(34)47-39(37)38)26-32(25-30)42-45-40(28-16-6-2-7-17-28)44-41(46-42)29-18-8-3-9-19-29;1-2-32-26-30-13-5-10-18-38(30)41(32)33-23-21-28(22-24-33)39-34-14-6-8-16-36(34)40(37-17-9-7-15-35(37)39)31-20-19-27-11-3-4-12-29(27)25-31;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-30H;1-26H;3-26H,2H2,1H3;1-6,11H;/q;;;;+1
• InChIKey: IREVYXIBHPLCDR-UHFFFAOYSA-N
• XLogP: 33.27
• TPSA: 145.25 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2013.43
LogP ≤ 5	33.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]-[1]benzothiolo[3,2-b]quinoline;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-[1]benzothiolo[3,2-b]quinoline;2-ethyl-1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]indole;quinolin-1-ium-8-olate?

The IUPAC name of lithium;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]-[1]benzothiolo[3,2-b]quinoline;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-[1]benzothiolo[3,2-b]quinoline;2-ethyl-1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]indole;quinolin-1-ium-8-olate (CID 158782039) is lithium;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]-[1]benzothiolo[3,2-b]quinoline;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-[1]benzothiolo[3,2-b]quinoline;2-ethyl-1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]indole;quinolin-1-ium-8-olate.

What is the SMILES notation for lithium;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]-[1]benzothiolo[3,2-b]quinoline;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-[1]benzothiolo[3,2-b]quinoline;2-ethyl-1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]indole;quinolin-1-ium-8-olate?

The canonical SMILES for lithium;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]-[1]benzothiolo[3,2-b]quinoline;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-[1]benzothiolo[3,2-b]quinoline;2-ethyl-1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]indole;quinolin-1-ium-8-olate is CCc1cc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1.[Li+].[O-]c1cccc2ccc[nH+]c12.c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3c4ccccc4nc4c3sc3ccccc34)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cc5ccccc5c5ccccc45)cc(-c4c5ccccc5nc5c4sc4ccccc45)c3)n2)cc1.

What is the InChIKey of lithium;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]-[1]benzothiolo[3,2-b]quinoline;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-[1]benzothiolo[3,2-b]quinoline;2-ethyl-1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]indole;quinolin-1-ium-8-olate?

The InChIKey is IREVYXIBHPLCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4S.C42H26N4S.C40H29N.C9H7NO.Li/c1-3-15-31(16-4-1)48-52-49(32-17-5-2-6-18-32)54-50(53-48)36-28-34(42-30-33-19-7-8-20-37(33)38-21-9-10-22-39(38)42)27-35(29-36)45-40-23-11-13-25-43(40)51-46-41-24-12-14-26-44(41)55-47(45)46;1-4-14-27(15-5-1)30-24-31(37-33-20-10-12-22-35(33)43-38-34-21-11-13-23-36(34)47-39(37)38)26-32(25-30)42-45-40(28-16-6-2-7-17-28)44-41(46-42)29-18-8-3-9-19-29;1-2-32-26-30-13-5-10-18-38(30)41(32)33-23-21-28(22-24-33)39-34-14-6-8-16-36(34)40(37-17-9-7-15-35(37)39)31-20-19-27-11-3-4-12-29(27)25-31;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-30H;1-26H;3-26H,2H2,1H3;1-6,11H;/q;;;;+1.

What are the key properties of lithium;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]-[1]benzothiolo[3,2-b]quinoline;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-[1]benzothiolo[3,2-b]quinoline;2-ethyl-1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]indole;quinolin-1-ium-8-olate?

lithium;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]-[1]benzothiolo[3,2-b]quinoline;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-[1]benzothiolo[3,2-b]quinoline;2-ethyl-1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]indole;quinolin-1-ium-8-olate has a molecular weight of 2013.43 g/mol, XLogP of 33.27, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]-[1]benzothiolo[3,2-b]quinoline;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-[1]benzothiolo[3,2-b]quinoline;2-ethyl-1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]indole;quinolin-1-ium-8-olate is sourced from PubChem (CID 158782039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).