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

C112H80BF9N4O5S — CID 158704663

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

[2-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[2-(9,9-diphenylfluoren-2-yl)phenyl]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 158704663) has the molecular formula C112H80BF9N4O5S and a molecular weight of 1775.76 g/mol. Its IUPAC name is [2-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[2-(9,9-diphenylfluoren-2-yl)phenyl]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: [2-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[2-(9,9-diphenylfluoren-2-yl)phenyl]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: 158704663
• Molecular Formula: C112H80BF9N4O5S
• Molecular Weight: 1775.76 g/mol
• Exact Mass: 1774.58
• IUPAC Name: [2-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[2-(9,9-diphenylfluoren-2-yl)phenyl]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)(Oc1ccccc1-c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccccc4-c4ccc(-c5cc(-c6ccccn6)nc6ccccc56)cc4)cc32)cc1
• InChI: InChI=1S/C51H34N2.C35H21F9O3S.C26H25BN2O2/c1-3-15-38(16-4-1)51(39-17-5-2-6-18-39)46-23-11-9-21-42(46)43-31-30-37(33-47(43)51)41-20-8-7-19-40(41)35-26-28-36(29-27-35)45-34-50(49-25-13-14-32-52-49)53-48-24-12-10-22-44(45)48;36-32(37,34(40,41)42)33(38,39)35(43,44)48(45,46)47-30-18-10-8-15-25(30)22-19-20-27-26-16-7-9-17-28(26)31(29(27)21-22,23-11-3-1-4-12-23)24-13-5-2-6-14-24;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: IHYUUAODYVJLNB-UHFFFAOYSA-N
• XLogP: 27.77
• TPSA: 113.39 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1775.76
LogP ≤ 5	27.77
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-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[2-(9,9-diphenylfluoren-2-yl)phenyl]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 [2-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[2-(9,9-diphenylfluoren-2-yl)phenyl]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 158704663) is [2-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[2-(9,9-diphenylfluoren-2-yl)phenyl]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 [2-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[2-(9,9-diphenylfluoren-2-yl)phenyl]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 [2-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[2-(9,9-diphenylfluoren-2-yl)phenyl]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)(Oc1ccccc1-c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccccc4-c4ccc(-c5cc(-c6ccccn6)nc6ccccc56)cc4)cc32)cc1.

What is the InChIKey of [2-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[2-(9,9-diphenylfluoren-2-yl)phenyl]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 IHYUUAODYVJLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2.C35H21F9O3S.C26H25BN2O2/c1-3-15-38(16-4-1)51(39-17-5-2-6-18-39)46-23-11-9-21-42(46)43-31-30-37(33-47(43)51)41-20-8-7-19-40(41)35-26-28-36(29-27-35)45-34-50(49-25-13-14-32-52-49)53-48-24-12-10-22-44(45)48;36-32(37,34(40,41)42)33(38,39)35(43,44)48(45,46)47-30-18-10-8-15-25(30)22-19-20-27-26-16-7-9-17-28(26)31(29(27)21-22,23-11-3-1-4-12-23)24-13-5-2-6-14-24;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-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[2-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2-pyridin-2-ylquinoline;2-pyridin-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline?

[2-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[2-(9,9-diphenylfluoren-2-yl)phenyl]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 1775.76 g/mol, XLogP of 27.77, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[2-(9,9-diphenylfluoren-2-yl)phenyl]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 158704663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).