dipotassium;1-fluoro-4-(4-fluorophenyl)sulfonylbenzene;hydride;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;4-[9-[4-[4-[4-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]fluoren-9-yl]phenol;oxido formate;yttrium

C100H70F2K2O13S2Y — CID 159662093

IUPACdipotassium;1-fluoro-4-(4-fluorophenyl)sulfonylbenzene;hydride;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;4-[9-[4-[4-[4-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]fluoren-9-yl]phenol;oxido formate;yttrium
SMILESO=CO[O-].O=S(=O)(c1ccc(F)cc1)c1ccc(F)cc1.O=S(=O)(c1ccc(Oc2ccc(C3(c4ccc(O)cc4)c4ccccc4-c4ccccc43)cc2)cc1)c1ccc(Oc2ccc(C3(c4ccc(O)cc4)c4ccccc4-c4ccccc43)cc2)cc1.Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1.[H-].[K+].[K+].[Y]
InChIInChI=1S/C62H42O6S.C25H18O2.C12H8F2O2S.CH2O3.2K.Y.H/c63-45-25-17-41(18-26-45)61(57-13-5-1-9-53(57)54-10-2-6-14-58(54)61)43-21-29-47(30-22-43)67-49-33-37-51(38-34-49)69(65,66)52-39-35-50(36-40-52)68-48-31-23-44(24-32-48)62(42-19-27-46(64)28-20-42)59-15-7-3-11-55(59)56-12-4-8-16-60(56)62;26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25;13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;2-1-4-3;;;;/h1-40,63-64H;1-16,26-27H;1-8H;1,3H;;;;/q;;;;2*+1;;-1/p-1
InChIKeyRBPMTHDUYZKZHC-UHFFFAOYSA-M
MW1748.88 g/mol
LogP15.05
Rot. Bonds15

About dipotassium;1-fluoro-4-(4-fluorophenyl)sulfonylbenzene;hydride;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;4-[9-[4-[4-[4-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]fluoren-9-yl]phenol;oxido formate;yttrium

dipotassium;1-fluoro-4-(4-fluorophenyl)sulfonylbenzene;hydride;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;4-[9-[4-[4-[4-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]fluoren-9-yl]phenol;oxido formate;yttrium (PubChem CID 159662093) has the molecular formula C100H70F2K2O13S2Y and a molecular weight of 1748.88 g/mol. Its IUPAC name is dipotassium;1-fluoro-4-(4-fluorophenyl)sulfonylbenzene;hydride;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;4-[9-[4-[4-[4-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]fluoren-9-yl]phenol;oxido formate;yttrium.

Molecular Properties

Compound Namedipotassium;1-fluoro-4-(4-fluorophenyl)sulfonylbenzene;hydride;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;4-[9-[4-[4-[4-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]fluoren-9-yl]phenol;oxido formate;yttrium
PubChem CID159662093
Molecular FormulaC100H70F2K2O13S2Y
Molecular Weight1748.88 g/mol
Exact Mass1747.26
IUPAC Namedipotassium;1-fluoro-4-(4-fluorophenyl)sulfonylbenzene;hydride;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;4-[9-[4-[4-[4-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]fluoren-9-yl]phenol;oxido formate;yttrium
SMILESO=CO[O-].O=S(=O)(c1ccc(F)cc1)c1ccc(F)cc1.O=S(=O)(c1ccc(Oc2ccc(C3(c4ccc(O)cc4)c4ccccc4-c4ccccc43)cc2)cc1)c1ccc(Oc2ccc(C3(c4ccc(O)cc4)c4ccccc4-c4ccccc43)cc2)cc1.Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1.[H-].[K+].[K+].[Y]
InChIInChI=1S/C62H42O6S.C25H18O2.C12H8F2O2S.CH2O3.2K.Y.H/c63-45-25-17-41(18-26-45)61(57-13-5-1-9-53(57)54-10-2-6-14-58(54)61)43-21-29-47(30-22-43)67-49-33-37-51(38-34-49)69(65,66)52-39-35-50(36-40-52)68-48-31-23-44(24-32-48)62(42-19-27-46(64)28-20-42)59-15-7-3-11-55(59)56-12-4-8-16-60(56)62;26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25;13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;2-1-4-3;;;;/h1-40,63-64H;1-16,26-27H;1-8H;1,3H;;;;/q;;;;2*+1;;-1/p-1
InChIKeyRBPMTHDUYZKZHC-UHFFFAOYSA-M
XLogP15.05
TPSA217.02 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001748.88
LogP ≤ 515.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze dipotassium;1-fluoro-4-(4-fluorophenyl)sulfonylbenzene;hydride;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;4-[9-[4-[4-[4-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]fluoren-9-yl]phenol;oxido formate;yttrium with MolForge

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Related Compounds

[4-[4-[9-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-[4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]methanone;methanesulfonic acid;trioxidanylsulfanylmethane
CID 91146218
[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methanone;[3-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]benzoyl]phenyl]-[4-[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]phenyl]methanone
CID 158080049
9,9-bis[4-(benzenesulfonyl)phenyl]fluorene
CID 122401705
9-(4-tert-butylphenyl)-9-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenoxy]phenyl]fluorene
CID 152900210
3-[4-[4-(3-aminophenoxy)phenyl]sulfonylphenoxy]aniline;4-[9-(4-aminophenyl)fluoren-9-yl]aniline
CID 162169591
1-(4-fluorophenyl)sulfonyl-4-phenoxybenzene
CID 853558
4-(4-hydroxyphenoxy)phenol;4-(4-hydroxyphenyl)sulfonylphenol
CID 161283209
methane;[4-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone
CID 160735340
[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] hypoiodite
CID 144644254
5-[4-(4-fluorophenyl)sulfonylphenoxy]benzene-1,3-diol
CID 101498559
[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl] prop-2-enoate
CID 89273761
9,9-bis(4-methylphenyl)fluorene;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 162192450

Frequently Asked Questions

What is the IUPAC name of dipotassium;1-fluoro-4-(4-fluorophenyl)sulfonylbenzene;hydride;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;4-[9-[4-[4-[4-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]fluoren-9-yl]phenol;oxido formate;yttrium?
The IUPAC name of dipotassium;1-fluoro-4-(4-fluorophenyl)sulfonylbenzene;hydride;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;4-[9-[4-[4-[4-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]fluoren-9-yl]phenol;oxido formate;yttrium (CID 159662093) is dipotassium;1-fluoro-4-(4-fluorophenyl)sulfonylbenzene;hydride;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;4-[9-[4-[4-[4-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]fluoren-9-yl]phenol;oxido formate;yttrium.
What is the SMILES notation for dipotassium;1-fluoro-4-(4-fluorophenyl)sulfonylbenzene;hydride;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;4-[9-[4-[4-[4-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]fluoren-9-yl]phenol;oxido formate;yttrium?
The canonical SMILES for dipotassium;1-fluoro-4-(4-fluorophenyl)sulfonylbenzene;hydride;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;4-[9-[4-[4-[4-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]fluoren-9-yl]phenol;oxido formate;yttrium is O=CO[O-].O=S(=O)(c1ccc(F)cc1)c1ccc(F)cc1.O=S(=O)(c1ccc(Oc2ccc(C3(c4ccc(O)cc4)c4ccccc4-c4ccccc43)cc2)cc1)c1ccc(Oc2ccc(C3(c4ccc(O)cc4)c4ccccc4-c4ccccc43)cc2)cc1.Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1.[H-].[K+].[K+].[Y].
What is the InChIKey of dipotassium;1-fluoro-4-(4-fluorophenyl)sulfonylbenzene;hydride;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;4-[9-[4-[4-[4-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]fluoren-9-yl]phenol;oxido formate;yttrium?
The InChIKey is RBPMTHDUYZKZHC-UHFFFAOYSA-M. The full InChI is InChI=1S/C62H42O6S.C25H18O2.C12H8F2O2S.CH2O3.2K.Y.H/c63-45-25-17-41(18-26-45)61(57-13-5-1-9-53(57)54-10-2-6-14-58(54)61)43-21-29-47(30-22-43)67-49-33-37-51(38-34-49)69(65,66)52-39-35-50(36-40-52)68-48-31-23-44(24-32-48)62(42-19-27-46(64)28-20-42)59-15-7-3-11-55(59)56-12-4-8-16-60(56)62;26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25;13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;2-1-4-3;;;;/h1-40,63-64H;1-16,26-27H;1-8H;1,3H;;;;/q;;;;2*+1;;-1/p-1.
What are the key properties of dipotassium;1-fluoro-4-(4-fluorophenyl)sulfonylbenzene;hydride;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;4-[9-[4-[4-[4-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]fluoren-9-yl]phenol;oxido formate;yttrium?
dipotassium;1-fluoro-4-(4-fluorophenyl)sulfonylbenzene;hydride;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;4-[9-[4-[4-[4-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]fluoren-9-yl]phenol;oxido formate;yttrium has a molecular weight of 1748.88 g/mol, XLogP of 15.05, 15 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;1-fluoro-4-(4-fluorophenyl)sulfonylbenzene;hydride;4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol;4-[9-[4-[4-[4-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]fluoren-9-yl]phenol;oxido formate;yttrium is sourced from PubChem (CID 159662093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).