2-pyridin-2-yl-4-[4-[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline;2-pyridin-2-yl-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

C120H80BF9N4O5S — CID 158691188

About 2-pyridin-2-yl-4-[4-[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline;2-pyridin-2-yl-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-pyridin-2-yl-4-[4-[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline;2-pyridin-2-yl-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 158691188) has the molecular formula C120H80BF9N4O5S and a molecular weight of 1871.84 g/mol. Its IUPAC name is 2-pyridin-2-yl-4-[4-[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline;2-pyridin-2-yl-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-pyridin-2-yl-4-[4-[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline;2-pyridin-2-yl-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: 158691188
• Molecular Formula: C120H80BF9N4O5S
• Molecular Weight: 1871.84 g/mol
• Exact Mass: 1870.58
• IUPAC Name: 2-pyridin-2-yl-4-[4-[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline;2-pyridin-2-yl-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(-c4ccccn4)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)nc1
• InChI: InChI=1S/C55H34N2.C39H21F9O3S.C26H25BN2O2/c1-5-15-48-42(11-1)43-12-2-6-16-49(43)55(48)50-17-7-3-13-44(50)45-29-28-40(33-51(45)55)39-27-23-36-22-26-38(31-41(36)32-39)35-20-24-37(25-21-35)47-34-54(53-19-9-10-30-56-53)57-52-18-8-4-14-46(47)52;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;1-25(2)26(3,4)31-27(30-25)19-14-12-18(13-15-19)21-17-24(23-11-7-8-16-28-23)29-22-10-6-5-9-20(21)22/h1-34H;1-21H;5-17H,1-4H3
• InChIKey: IGJGZSAIWGVOGJ-UHFFFAOYSA-N
• XLogP: 30.04
• TPSA: 113.39 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1871.84
LogP ≤ 5	30.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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-pyridin-2-yl-4-[4-[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline;2-pyridin-2-yl-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-pyridin-2-yl-4-[4-[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline;2-pyridin-2-yl-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 158691188) is 2-pyridin-2-yl-4-[4-[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline;2-pyridin-2-yl-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-pyridin-2-yl-4-[4-[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline;2-pyridin-2-yl-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-pyridin-2-yl-4-[4-[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline;2-pyridin-2-yl-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(-c4ccccn4)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)nc1.

What is the InChIKey of 2-pyridin-2-yl-4-[4-[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline;2-pyridin-2-yl-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 IGJGZSAIWGVOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2.C39H21F9O3S.C26H25BN2O2/c1-5-15-48-42(11-1)43-12-2-6-16-49(43)55(48)50-17-7-3-13-44(50)45-29-28-40(33-51(45)55)39-27-23-36-22-26-38(31-41(36)32-39)35-20-24-37(25-21-35)47-34-54(53-19-9-10-30-56-53)57-52-18-8-4-14-46(47)52;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;1-25(2)26(3,4)31-27(30-25)19-14-12-18(13-15-19)21-17-24(23-11-7-8-16-28-23)29-22-10-6-5-9-20(21)22/h1-34H;1-21H;5-17H,1-4H3.

What are the key properties of 2-pyridin-2-yl-4-[4-[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline;2-pyridin-2-yl-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-pyridin-2-yl-4-[4-[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline;2-pyridin-2-yl-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 1871.84 g/mol, XLogP of 30.04, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-pyridin-2-yl-4-[4-[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline;2-pyridin-2-yl-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 158691188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).