2-phenyl-4-[4-[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline;2-phenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline;[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

C122H82BF9N2O5S — CID 159002365

About 2-phenyl-4-[4-[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline;2-phenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline;[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

2-phenyl-4-[4-[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline;2-phenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline;[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate (PubChem CID 159002365) has the molecular formula C122H82BF9N2O5S and a molecular weight of 1869.87 g/mol. Its IUPAC name is 2-phenyl-4-[4-[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline;2-phenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline;[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate.

Molecular Properties

• Compound Name: 2-phenyl-4-[4-[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline;2-phenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline;[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
• PubChem CID: 159002365
• Molecular Formula: C122H82BF9N2O5S
• Molecular Weight: 1869.87 g/mol
• Exact Mass: 1868.59
• IUPAC Name: 2-phenyl-4-[4-[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline;2-phenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline;[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
• SMILES: CC1(C)OB(c2ccc(-c3cc(-c4ccccc4)nc4ccccc34)cc2)OC1(C)C.O=S(=O)(Oc1ccc2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.c1ccc(-c2cc(-c3ccc(-c4ccc5ccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5c4)cc3)c3ccccc3n2)cc1
• InChI: InChI=1S/C56H35N.C39H21F9O3S.C27H26BNO2/c1-2-12-39(13-3-1)55-35-49(48-17-7-11-21-54(48)57-55)38-26-22-36(23-27-38)40-28-24-37-25-29-41(33-43(37)32-40)42-30-31-47-46-16-6-10-20-52(46)56(53(47)34-42)50-18-8-4-14-44(50)45-15-5-9-19-51(45)56;40-36(41,38(44,45)46)37(42,43)39(47,48)52(49,50)51-26-17-15-22-13-14-23(19-25(22)20-26)24-16-18-30-29-9-3-6-12-33(29)35(34(30)21-24)31-10-4-1-7-27(31)28-8-2-5-11-32(28)35;1-26(2)27(3,4)31-28(30-26)21-16-14-19(15-17-21)23-18-25(20-10-6-5-7-11-20)29-24-13-9-8-12-22(23)24/h1-35H;1-21H;5-18H,1-4H3
• InChIKey: JRMKYUYXFXHZSN-UHFFFAOYSA-N
• XLogP: 31.25
• TPSA: 87.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1869.87
LogP ≤ 5	31.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[4-[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline;2-phenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline;[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?

The IUPAC name of 2-phenyl-4-[4-[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline;2-phenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline;[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate (CID 159002365) is 2-phenyl-4-[4-[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline;2-phenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline;[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate.

What is the SMILES notation for 2-phenyl-4-[4-[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline;2-phenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline;[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?

The canonical SMILES for 2-phenyl-4-[4-[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline;2-phenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline;[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate is CC1(C)OB(c2ccc(-c3cc(-c4ccccc4)nc4ccccc34)cc2)OC1(C)C.O=S(=O)(Oc1ccc2ccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.c1ccc(-c2cc(-c3ccc(-c4ccc5ccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5c4)cc3)c3ccccc3n2)cc1.

What is the InChIKey of 2-phenyl-4-[4-[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline;2-phenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline;[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?

The InChIKey is JRMKYUYXFXHZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N.C39H21F9O3S.C27H26BNO2/c1-2-12-39(13-3-1)55-35-49(48-17-7-11-21-54(48)57-55)38-26-22-36(23-27-38)40-28-24-37-25-29-41(33-43(37)32-40)42-30-31-47-46-16-6-10-20-52(46)56(53(47)34-42)50-18-8-4-14-44(50)45-15-5-9-19-51(45)56;40-36(41,38(44,45)46)37(42,43)39(47,48)52(49,50)51-26-17-15-22-13-14-23(19-25(22)20-26)24-16-18-30-29-9-3-6-12-33(29)35(34(30)21-24)31-10-4-1-7-27(31)28-8-2-5-11-32(28)35;1-26(2)27(3,4)31-28(30-26)21-16-14-19(15-17-21)23-18-25(20-10-6-5-7-11-20)29-24-13-9-8-12-22(23)24/h1-35H;1-21H;5-18H,1-4H3.

What are the key properties of 2-phenyl-4-[4-[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline;2-phenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline;[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?

2-phenyl-4-[4-[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline;2-phenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline;[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate has a molecular weight of 1869.87 g/mol, XLogP of 31.25, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-4-[4-[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline;2-phenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline;[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate is sourced from PubChem (CID 159002365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).