[7-(9,9-diphenylfluoren-2-yl)phenanthren-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[7-(9,9-diphenylfluoren-2-yl)phenanthren-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

C128H88BF9N4O5S — CID 157169735

About [7-(9,9-diphenylfluoren-2-yl)phenanthren-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[7-(9,9-diphenylfluoren-2-yl)phenanthren-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)phenanthren-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[7-(9,9-diphenylfluoren-2-yl)phenanthren-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 157169735) has the molecular formula C128H88BF9N4O5S and a molecular weight of 1976.00 g/mol. Its IUPAC name is [7-(9,9-diphenylfluoren-2-yl)phenanthren-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[7-(9,9-diphenylfluoren-2-yl)phenanthren-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)phenanthren-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[7-(9,9-diphenylfluoren-2-yl)phenanthren-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: 157169735
• Molecular Formula: C128H88BF9N4O5S
• Molecular Weight: 1976.00 g/mol
• Exact Mass: 1974.64
• IUPAC Name: [7-(9,9-diphenylfluoren-2-yl)phenanthren-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[7-(9,9-diphenylfluoren-2-yl)phenanthren-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)(Oc1ccc2c(ccc3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc32)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5c(ccc6cc(-c7ccc(-c8cc(-c9ccccn9)nc9ccccc89)cc7)ccc65)c4)cc32)cc1
• InChI: InChI=1S/C59H38N2.C43H25F9O3S.C26H25BN2O2/c1-3-13-46(14-4-1)59(47-15-5-2-6-16-47)54-19-9-7-17-50(54)51-33-30-43(37-55(51)59)42-29-32-49-45(36-42)27-26-44-35-41(28-31-48(44)49)39-22-24-40(25-23-39)53-38-58(57-21-11-12-34-60-57)61-56-20-10-8-18-52(53)56;44-40(45,42(48,49)50)41(46,47)43(51,52)56(53,54)55-32-19-22-34-29(24-32)16-15-28-23-26(17-20-33(28)34)27-18-21-36-35-13-7-8-14-37(35)39(38(36)25-27,30-9-3-1-4-10-30)31-11-5-2-6-12-31;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/h1-38H;1-25H;5-17H,1-4H3
• InChIKey: ANIAFHBFCHWIJX-UHFFFAOYSA-N
• XLogP: 32.39
• TPSA: 113.39 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1976.00
LogP ≤ 5	32.39
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': 'Polycyclic_aromatic_hydrocarbon_3', '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)phenanthren-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[7-(9,9-diphenylfluoren-2-yl)phenanthren-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)phenanthren-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[7-(9,9-diphenylfluoren-2-yl)phenanthren-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 157169735) is [7-(9,9-diphenylfluoren-2-yl)phenanthren-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[7-(9,9-diphenylfluoren-2-yl)phenanthren-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)phenanthren-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[7-(9,9-diphenylfluoren-2-yl)phenanthren-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)phenanthren-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[7-(9,9-diphenylfluoren-2-yl)phenanthren-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)(Oc1ccc2c(ccc3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc32)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc5c(ccc6cc(-c7ccc(-c8cc(-c9ccccn9)nc9ccccc89)cc7)ccc65)c4)cc32)cc1.

What is the InChIKey of [7-(9,9-diphenylfluoren-2-yl)phenanthren-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[7-(9,9-diphenylfluoren-2-yl)phenanthren-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 ANIAFHBFCHWIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2.C43H25F9O3S.C26H25BN2O2/c1-3-13-46(14-4-1)59(47-15-5-2-6-16-47)54-19-9-7-17-50(54)51-33-30-43(37-55(51)59)42-29-32-49-45(36-42)27-26-44-35-41(28-31-48(44)49)39-22-24-40(25-23-39)53-38-58(57-21-11-12-34-60-57)61-56-20-10-8-18-52(53)56;44-40(45,42(48,49)50)41(46,47)43(51,52)56(53,54)55-32-19-22-34-29(24-32)16-15-28-23-26(17-20-33(28)34)27-18-21-36-35-13-7-8-14-37(35)39(38(36)25-27,30-9-3-1-4-10-30)31-11-5-2-6-12-31;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/h1-38H;1-25H;5-17H,1-4H3.

What are the key properties of [7-(9,9-diphenylfluoren-2-yl)phenanthren-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[7-(9,9-diphenylfluoren-2-yl)phenanthren-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)phenanthren-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[7-(9,9-diphenylfluoren-2-yl)phenanthren-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 1976.00 g/mol, XLogP of 32.39, 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)phenanthren-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[7-(9,9-diphenylfluoren-2-yl)phenanthren-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 157169735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).