lithium;2,4-bis(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;quinolin-1-ium-8-olate

C125H85LiN5O+ — CID 160703750

About lithium;2,4-bis(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;quinolin-1-ium-8-olate

lithium;2,4-bis(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;quinolin-1-ium-8-olate (PubChem CID 160703750) has the molecular formula C125H85LiN5O+ and a molecular weight of 1680.03 g/mol. Its IUPAC name is lithium;2,4-bis(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;quinolin-1-ium-8-olate.

Molecular Properties

• Compound Name: lithium;2,4-bis(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;quinolin-1-ium-8-olate
• PubChem CID: 160703750
• Molecular Formula: C125H85LiN5O+
• Molecular Weight: 1680.03 g/mol
• Exact Mass: 1678.69
• IUPAC Name: lithium;2,4-bis(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;quinolin-1-ium-8-olate
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccccc3-c3ccccc3)cc21.[Li+].[O-]c1cccc2ccc[nH+]c12.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)n3)c2)cc1
• InChI: InChI=1S/C64H41N3.C52H37N.C9H7NO.Li/c1-5-19-42(20-6-1)47-35-48(43-21-7-2-8-22-43)38-51(37-47)62-65-61(66-63(67-62)52-39-49(44-23-9-3-10-24-44)36-50(40-52)45-25-11-4-12-26-45)46-33-34-56-55-29-15-18-32-59(55)64(60(56)41-46)57-30-16-13-27-53(57)54-28-14-17-31-58(54)64;1-51(2)44-23-11-6-19-38(44)42-30-28-35(32-48(42)51)53(50-27-15-10-18-37(50)34-16-4-3-5-17-34)36-29-31-43-41-22-9-14-26-47(41)52(49(43)33-36)45-24-12-7-20-39(45)40-21-8-13-25-46(40)52;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-41H;3-33H,1-2H3;1-6,11H;/q;;;+1
• InChIKey: RQYIIDMIQVLCNS-UHFFFAOYSA-N
• XLogP: 27.09
• TPSA: 79.11 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1680.03
LogP ≤ 5	27.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of lithium;2,4-bis(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;quinolin-1-ium-8-olate?

The IUPAC name of lithium;2,4-bis(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;quinolin-1-ium-8-olate (CID 160703750) is lithium;2,4-bis(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;quinolin-1-ium-8-olate.

What is the SMILES notation for lithium;2,4-bis(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;quinolin-1-ium-8-olate?

The canonical SMILES for lithium;2,4-bis(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;quinolin-1-ium-8-olate is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccccc3-c3ccccc3)cc21.[Li+].[O-]c1cccc2ccc[nH+]c12.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)n3)c2)cc1.

What is the InChIKey of lithium;2,4-bis(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;quinolin-1-ium-8-olate?

The InChIKey is RQYIIDMIQVLCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41N3.C52H37N.C9H7NO.Li/c1-5-19-42(20-6-1)47-35-48(43-21-7-2-8-22-43)38-51(37-47)62-65-61(66-63(67-62)52-39-49(44-23-9-3-10-24-44)36-50(40-52)45-25-11-4-12-26-45)46-33-34-56-55-29-15-18-32-59(55)64(60(56)41-46)57-30-16-13-27-53(57)54-28-14-17-31-58(54)64;1-51(2)44-23-11-6-19-38(44)42-30-28-35(32-48(42)51)53(50-27-15-10-18-37(50)34-16-4-3-5-17-34)36-29-31-43-41-22-9-14-26-47(41)52(49(43)33-36)45-24-12-7-20-39(45)40-21-8-13-25-46(40)52;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-41H;3-33H,1-2H3;1-6,11H;/q;;;+1.

What are the key properties of lithium;2,4-bis(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;quinolin-1-ium-8-olate?

lithium;2,4-bis(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;quinolin-1-ium-8-olate has a molecular weight of 1680.03 g/mol, XLogP of 27.09, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2,4-bis(3,5-diphenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;quinolin-1-ium-8-olate is sourced from PubChem (CID 160703750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).