[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-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 160621569

About [4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-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

[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-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 160621569) has the molecular formula C120H84BF9N4O5S and a molecular weight of 1875.88 g/mol. Its IUPAC name is [4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-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: [4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-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: 160621569
• Molecular Formula: C120H84BF9N4O5S
• Molecular Weight: 1875.88 g/mol
• Exact Mass: 1874.61
• IUPAC Name: [4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-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)(Oc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccccc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(-c5ccc(-c6cc(-c7ccccn7)nc7ccccc67)cc5)c5ccccc45)cc32)cc1
• InChI: InChI=1S/C55H36N2.C39H23F9O3S.C26H25BN2O2/c1-3-15-40(16-4-1)55(41-17-5-2-6-18-41)50-23-11-9-21-46(50)47-31-30-39(35-51(47)55)43-33-32-42(44-19-7-8-20-45(43)44)37-26-28-38(29-27-37)49-36-54(53-25-13-14-34-56-53)57-52-24-12-10-22-48(49)52;40-36(41,38(44,45)46)37(42,43)39(47,48)52(49,50)51-34-22-21-27(28-15-7-8-17-31(28)34)24-19-20-30-29-16-9-10-18-32(29)35(33(30)23-24,25-11-3-1-4-12-25)26-13-5-2-6-14-26;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: RGTQHCRSCLWBBC-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 [4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-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 [4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-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 160621569) is [4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-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 [4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-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 [4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-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)(Oc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccccc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(-c5ccc(-c6cc(-c7ccccn7)nc7ccccc67)cc5)c5ccccc45)cc32)cc1.

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

[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-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 [4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-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 160621569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).