[3-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[3-(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 162204482

IUPAC[3-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[3-(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
SMILESCC1(C)OB(c2ccc(-c3cc(-c4ccccn4)nc4ccccc34)cc2)OC1(C)C.O=S(=O)(Oc1cccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cccc(-c5ccc(-c6cc(-c7ccccn7)nc7ccccc67)cc5)c4)cc32)cc1
InChIInChI=1S/C51H34N2.C35H21F9O3S.C26H25BN2O2/c1-3-16-40(17-4-1)51(41-18-5-2-6-19-41)46-22-9-7-20-42(46)43-30-29-39(33-47(43)51)38-15-13-14-37(32-38)35-25-27-36(28-26-35)45-34-50(49-24-11-12-31-52-49)53-48-23-10-8-21-44(45)48;36-32(37,34(40,41)42)33(38,39)35(43,44)48(45,46)47-26-15-9-10-22(20-26)23-18-19-28-27-16-7-8-17-29(27)31(30(28)21-23,24-11-3-1-4-12-24)25-13-5-2-6-14-25;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
InChIKeyZRZXZYCHHOBTGK-UHFFFAOYSA-N
MW1775.76 g/mol
LogP27.77
Rot. Bonds17

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

[3-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[3-(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 162204482) has the molecular formula C112H80BF9N4O5S and a molecular weight of 1775.76 g/mol. Its IUPAC name is [3-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[3-(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[3-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[3-(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 CID162204482
Molecular FormulaC112H80BF9N4O5S
Molecular Weight1775.76 g/mol
Exact Mass1774.58
IUPAC Name[3-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[3-(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
SMILESCC1(C)OB(c2ccc(-c3cc(-c4ccccn4)nc4ccccc34)cc2)OC1(C)C.O=S(=O)(Oc1cccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cccc(-c5ccc(-c6cc(-c7ccccn7)nc7ccccc67)cc5)c4)cc32)cc1
InChIInChI=1S/C51H34N2.C35H21F9O3S.C26H25BN2O2/c1-3-16-40(17-4-1)51(41-18-5-2-6-19-41)46-22-9-7-20-42(46)43-30-29-39(33-47(43)51)38-15-13-14-37(32-38)35-25-27-36(28-26-35)45-34-50(49-24-11-12-31-52-49)53-48-23-10-8-21-44(45)48;36-32(37,34(40,41)42)33(38,39)35(43,44)48(45,46)47-26-15-9-10-22(20-26)23-18-19-28-27-16-7-8-17-29(27)31(30(28)21-23,24-11-3-1-4-12-24)25-13-5-2-6-14-25;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
InChIKeyZRZXZYCHHOBTGK-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 [3-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[3-(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 with MolForge

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Related Compounds

[3-[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]-5-[2-[4-methyl-6-(1,1,3,3-tetramethyl-2H-inden-5-yl)-3-pyridinyl]phenyl]phenyl] trifluoromethanesulfonate
CID 142521140
[3-[2-(4-Cyclohexa-1,5-dien-1-yl-6-phenyl-3-pyridinyl)phenyl]-5-[2-(4-quinolin-2-ylphenyl)phenyl]phenyl] trifluoromethanesulfonate
CID 142521167
[3-[2-(4,6-Diphenyl-3-pyridinyl)phenyl]-5-[2-(4-quinolin-2-ylphenyl)phenyl]phenyl] trifluoromethanesulfonate
CID 154588917
[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

Frequently Asked Questions

What is the IUPAC name of [3-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[3-(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 [3-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[3-(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 162204482) is [3-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[3-(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 [3-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[3-(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 [3-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[3-(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)(Oc1cccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cccc(-c5ccc(-c6cc(-c7ccccn7)nc7ccccc67)cc5)c4)cc32)cc1.
What is the InChIKey of [3-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[3-(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 ZRZXZYCHHOBTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2.C35H21F9O3S.C26H25BN2O2/c1-3-16-40(17-4-1)51(41-18-5-2-6-19-41)46-22-9-7-20-42(46)43-30-29-39(33-47(43)51)38-15-13-14-37(32-38)35-25-27-36(28-26-35)45-34-50(49-24-11-12-31-52-49)53-48-23-10-8-21-44(45)48;36-32(37,34(40,41)42)33(38,39)35(43,44)48(45,46)47-26-15-9-10-22(20-26)23-18-19-28-27-16-7-8-17-29(27)31(30(28)21-23,24-11-3-1-4-12-24)25-13-5-2-6-14-25;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 [3-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[3-(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?
[3-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[3-(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 [3-(9,9-diphenylfluoren-2-yl)phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;4-[4-[3-(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 162204482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).