[7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;7-[7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-4-phenyl-2-pyridin-2-ylquinoline;4-phenyl-2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

C120H84BF9N4O5S — CID 160617616

About [7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;7-[7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-4-phenyl-2-pyridin-2-ylquinoline;4-phenyl-2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

[7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;7-[7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-4-phenyl-2-pyridin-2-ylquinoline;4-phenyl-2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (PubChem CID 160617616) has the molecular formula C120H84BF9N4O5S and a molecular weight of 1875.88 g/mol. Its IUPAC name is [7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;7-[7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-4-phenyl-2-pyridin-2-ylquinoline;4-phenyl-2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline.

Molecular Properties

• Compound Name: [7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;7-[7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-4-phenyl-2-pyridin-2-ylquinoline;4-phenyl-2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
• PubChem CID: 160617616
• Molecular Formula: C120H84BF9N4O5S
• Molecular Weight: 1875.88 g/mol
• Exact Mass: 1874.61
• IUPAC Name: [7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;7-[7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-4-phenyl-2-pyridin-2-ylquinoline;4-phenyl-2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
• SMILES: CC1(C)OB(c2ccc3c(-c4ccccc4)cc(-c4ccccn4)nc3c2)OC1(C)C.O=S(=O)(Oc1ccc2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.c1ccc(-c2cc(-c3ccccn3)nc3cc(-c4ccc5ccc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)cc5c4)ccc23)cc1
• InChI: InChI=1S/C55H36N2.C39H23F9O3S.C26H25BN2O2/c1-4-14-38(15-5-1)49-36-54(52-22-12-13-31-56-52)57-53-35-42(28-30-48(49)53)40-26-24-37-23-25-39(32-43(37)33-40)41-27-29-47-46-20-10-11-21-50(46)55(51(47)34-41,44-16-6-2-7-17-44)45-18-8-3-9-19-45;40-36(41,38(44,45)46)37(42,43)39(47,48)52(49,50)51-30-19-17-24-15-16-25(21-27(24)22-30)26-18-20-32-31-13-7-8-14-33(31)35(34(32)23-26,28-9-3-1-4-10-28)29-11-5-2-6-12-29;1-25(2)26(3,4)31-27(30-25)19-13-14-20-21(18-10-6-5-7-11-18)17-24(29-23(20)16-19)22-12-8-9-15-28-22/h1-36H;1-23H;5-17H,1-4H3
• InChIKey: RGHHQMYUMURPHQ-UHFFFAOYSA-N
• XLogP: 30.08
• TPSA: 113.39 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1875.88
LogP ≤ 5	30.08
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 [7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;7-[7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-4-phenyl-2-pyridin-2-ylquinoline;4-phenyl-2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?

The IUPAC name of [7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;7-[7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-4-phenyl-2-pyridin-2-ylquinoline;4-phenyl-2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (CID 160617616) is [7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;7-[7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-4-phenyl-2-pyridin-2-ylquinoline;4-phenyl-2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline.

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

The canonical SMILES for [7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;7-[7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-4-phenyl-2-pyridin-2-ylquinoline;4-phenyl-2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline is CC1(C)OB(c2ccc3c(-c4ccccc4)cc(-c4ccccn4)nc3c2)OC1(C)C.O=S(=O)(Oc1ccc2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.c1ccc(-c2cc(-c3ccccn3)nc3cc(-c4ccc5ccc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)cc5c4)ccc23)cc1.

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

The InChIKey is RGHHQMYUMURPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2.C39H23F9O3S.C26H25BN2O2/c1-4-14-38(15-5-1)49-36-54(52-22-12-13-31-56-52)57-53-35-42(28-30-48(49)53)40-26-24-37-23-25-39(32-43(37)33-40)41-27-29-47-46-20-10-11-21-50(46)55(51(47)34-41,44-16-6-2-7-17-44)45-18-8-3-9-19-45;40-36(41,38(44,45)46)37(42,43)39(47,48)52(49,50)51-30-19-17-24-15-16-25(21-27(24)22-30)26-18-20-32-31-13-7-8-14-33(31)35(34(32)23-26,28-9-3-1-4-10-28)29-11-5-2-6-12-29;1-25(2)26(3,4)31-27(30-25)19-13-14-20-21(18-10-6-5-7-11-18)17-24(29-23(20)16-19)22-12-8-9-15-28-22/h1-36H;1-23H;5-17H,1-4H3.

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

[7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;7-[7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-4-phenyl-2-pyridin-2-ylquinoline;4-phenyl-2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline has a molecular weight of 1875.88 g/mol, XLogP of 30.08, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;7-[7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-4-phenyl-2-pyridin-2-ylquinoline;4-phenyl-2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline is sourced from PubChem (CID 160617616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).