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

C120H84BF9N4O5S — CID 158588859

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

[7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-pyridin-2-ylquinoline;2-pyridin-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline (PubChem CID 158588859) 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;4-[4-[7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-pyridin-2-ylquinoline;2-pyridin-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]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;4-[4-[7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-pyridin-2-ylquinoline;2-pyridin-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline
• PubChem CID: 158588859
• 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;4-[4-[7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-pyridin-2-ylquinoline;2-pyridin-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline
• SMILES: CC1(C)OB(c2ccc(-c3cc(-c4ccccn4)nc4ccccc34)cc2)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(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5ccc(-c6ccc(-c7cc(-c8ccccn8)nc8ccccc78)cc6)cc5c4)cc32)cc1
• InChI: InChI=1S/C55H36N2.C39H23F9O3S.C26H25BN2O2/c1-3-13-44(14-4-1)55(45-15-5-2-6-16-45)50-19-9-7-17-46(50)47-31-30-42(35-51(47)55)41-29-25-38-24-28-40(33-43(38)34-41)37-22-26-39(27-23-37)49-36-54(53-21-11-12-32-56-53)57-52-20-10-8-18-48(49)52;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)19-14-12-18(13-15-19)21-17-24(23-11-7-8-16-28-23)29-22-10-6-5-9-20(21)22/h1-36H;1-23H;5-17H,1-4H3
• InChIKey: HUEJCULNHJZUJO-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;4-[4-[7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-pyridin-2-ylquinoline;2-pyridin-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]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;4-[4-[7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-pyridin-2-ylquinoline;2-pyridin-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline (CID 158588859) is [7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-pyridin-2-ylquinoline;2-pyridin-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]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;4-[4-[7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-pyridin-2-ylquinoline;2-pyridin-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]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;4-[4-[7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-pyridin-2-ylquinoline;2-pyridin-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline is CC1(C)OB(c2ccc(-c3cc(-c4ccccn4)nc4ccccc34)cc2)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(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5ccc(-c6ccc(-c7cc(-c8ccccn8)nc8ccccc78)cc6)cc5c4)cc32)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;4-[4-[7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-pyridin-2-ylquinoline;2-pyridin-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline?

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

[7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-pyridin-2-ylquinoline;2-pyridin-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]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;4-[4-[7-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]phenyl]-2-pyridin-2-ylquinoline;2-pyridin-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline is sourced from PubChem (CID 158588859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).