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

C112H80BF9N4O5S — CID 161282989

IUPAC[4-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;7-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-2-pyridin-2-ylquinoline;4-phenyl-2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
SMILESCC1(C)OB(c2ccc3c(-c4ccccc4)cc(-c4ccccn4)nc3c2)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(-c2cc(-c3ccccn3)nc3cc(-c4ccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)ccc23)cc1
InChIInChI=1S/C51H34N2.C35H21F9O3S.C26H25BN2O2/c1-4-14-37(15-5-1)45-34-50(48-22-12-13-31-52-48)53-49-33-39(28-30-44(45)49)36-25-23-35(24-26-36)38-27-29-43-42-20-10-11-21-46(42)51(47(43)32-38,40-16-6-2-7-17-40)41-18-8-3-9-19-41;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)19-13-14-20-21(18-10-6-5-7-11-18)17-24(29-23(20)16-19)22-12-8-9-15-28-22/h1-34H;1-21H;5-17H,1-4H3
InChIKeyVFIKHUGMROPQNB-UHFFFAOYSA-N
MW1775.76 g/mol
LogP27.77
Rot. Bonds17

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

[4-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;7-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-2-pyridin-2-ylquinoline;4-phenyl-2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (PubChem CID 161282989) 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;7-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-2-pyridin-2-ylquinoline;4-phenyl-2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline.

Molecular Properties

Compound Name[4-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;7-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-2-pyridin-2-ylquinoline;4-phenyl-2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
PubChem CID161282989
Molecular FormulaC112H80BF9N4O5S
Molecular Weight1775.76 g/mol
Exact Mass1774.58
IUPAC Name[4-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;7-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-2-pyridin-2-ylquinoline;4-phenyl-2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
SMILESCC1(C)OB(c2ccc3c(-c4ccccc4)cc(-c4ccccn4)nc3c2)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(-c2cc(-c3ccccn3)nc3cc(-c4ccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)ccc23)cc1
InChIInChI=1S/C51H34N2.C35H21F9O3S.C26H25BN2O2/c1-4-14-37(15-5-1)45-34-50(48-22-12-13-31-52-48)53-49-33-39(28-30-44(45)49)36-25-23-35(24-26-36)38-27-29-43-42-20-10-11-21-46(42)51(47(43)32-38,40-16-6-2-7-17-40)41-18-8-3-9-19-41;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)19-13-14-20-21(18-10-6-5-7-11-18)17-24(29-23(20)16-19)22-12-8-9-15-28-22/h1-34H;1-21H;5-17H,1-4H3
InChIKeyVFIKHUGMROPQNB-UHFFFAOYSA-N
XLogP27.77
TPSA113.39 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001775.76
LogP ≤ 527.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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'}

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

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Related Compounds

[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
2-Pyridin-2-yl-4-[4-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]phenyl]quinoline;2-pyridin-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline;[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 157313033
[6-(9,9-Diphenylfluoren-4-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[6-(9,9-diphenylfluoren-4-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 157596488
[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-phenylquinoline;2-phenyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline
CID 157802879
[4-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;8-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline;8-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline
CID 157920241
4-[3-benzo[h]quinolin-10-yl-10-[4-(N-phenylanilino)phenyl]anthracen-9-yl]-N,N-diphenylaniline;benzo[h]quinolin-10-yl trifluoromethanesulfonate;N,N-diphenyl-4-[10-[4-(N-phenylanilino)phenyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anthracen-9-yl]aniline
CID 157967246
Benzo[h]quinolin-10-yl trifluoromethanesulfonate;10-(9,10-dinaphthalen-2-ylanthracen-2-yl)benzo[h]quinoline;2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolane
CID 158057623
[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
[3-(1,10-Phenanthrolin-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;2-[3-[4-(9-phenylxanthen-9-yl)phenyl]phenyl]-1,10-phenanthroline;4,4,5,5-tetramethyl-2-[4-(9-phenylxanthen-9-yl)phenyl]-1,3,2-dioxaborolane
CID 158671207
2-Pyridin-2-yl-4-[4-[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline;2-pyridin-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]quinoline;[7-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 158691188
[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
CID 158726091
CID 158726091

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;7-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-2-pyridin-2-ylquinoline;4-phenyl-2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?
The IUPAC name of [4-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;7-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-2-pyridin-2-ylquinoline;4-phenyl-2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (CID 161282989) is [4-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;7-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-2-pyridin-2-ylquinoline;4-phenyl-2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)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;7-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-2-pyridin-2-ylquinoline;4-phenyl-2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?
The canonical SMILES for [4-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;7-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-2-pyridin-2-ylquinoline;4-phenyl-2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline is CC1(C)OB(c2ccc3c(-c4ccccc4)cc(-c4ccccn4)nc3c2)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(-c2cc(-c3ccccn3)nc3cc(-c4ccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)ccc23)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;7-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-2-pyridin-2-ylquinoline;4-phenyl-2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?
The InChIKey is VFIKHUGMROPQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2.C35H21F9O3S.C26H25BN2O2/c1-4-14-37(15-5-1)45-34-50(48-22-12-13-31-52-48)53-49-33-39(28-30-44(45)49)36-25-23-35(24-26-36)38-27-29-43-42-20-10-11-21-46(42)51(47(43)32-38,40-16-6-2-7-17-40)41-18-8-3-9-19-41;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)19-13-14-20-21(18-10-6-5-7-11-18)17-24(29-23(20)16-19)22-12-8-9-15-28-22/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;7-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-2-pyridin-2-ylquinoline;4-phenyl-2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?
[4-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;7-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-2-pyridin-2-ylquinoline;4-phenyl-2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)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;7-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-2-pyridin-2-ylquinoline;4-phenyl-2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline is sourced from PubChem (CID 161282989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).