[4-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[4-(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 158824859

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

[4-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[4-(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 158824859) has the molecular formula C112H80BF9N4O5S and a molecular weight of 1775.76 g/mol. Its IUPAC name is [4-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[4-(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: [4-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[4-(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: 158824859
• Molecular Formula: C112H80BF9N4O5S
• Molecular Weight: 1775.76 g/mol
• Exact Mass: 1774.58
• IUPAC Name: [4-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[4-(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)(Oc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(-c5ccc(-c6cc(-c7ccccn7)nc7ccccc67)cc5)cc4)cc32)cc1
• InChI: InChI=1S/C51H34N2.C35H21F9O3S.C26H25BN2O2/c1-3-13-40(14-4-1)51(41-15-5-2-6-16-41)46-19-9-7-17-42(46)43-31-30-39(33-47(43)51)37-24-22-35(23-25-37)36-26-28-38(29-27-36)45-34-50(49-21-11-12-32-52-49)53-48-20-10-8-18-44(45)48;36-32(37,34(40,41)42)33(38,39)35(43,44)48(45,46)47-26-18-15-22(16-19-26)23-17-20-28-27-13-7-8-14-29(27)31(30(28)21-23,24-9-3-1-4-10-24)25-11-5-2-6-12-25;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: IWIFDOJFIGSHKB-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 [4-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[4-(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 [4-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[4-(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 158824859) is [4-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[4-(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 [4-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[4-(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 [4-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[4-(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)(Oc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(-c5ccc(-c6cc(-c7ccccn7)nc7ccccc67)cc5)cc4)cc32)cc1.

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

[4-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[4-(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 [4-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[4-(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 158824859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).