dipotassium;[3,5-bis(4-fluorobenzoyl)phenyl]-(4-fluorophenyl)methanone;1-[2-fluoro-5-(4-fluorophenyl)sulfonylphenyl]-N,N-dimethylmethanamine;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[5-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-2-methylphenyl]-N,N-dimethylmethanamine;hydride;methane;oxido formate;hydrochloride

C92H80ClF17K2N2O14S2 — CID 161420533

IUPACdipotassium;[3,5-bis(4-fluorobenzoyl)phenyl]-(4-fluorophenyl)methanone;1-[2-fluoro-5-(4-fluorophenyl)sulfonylphenyl]-N,N-dimethylmethanamine;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[5-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-2-methylphenyl]-N,N-dimethylmethanamine;hydride;methane;oxido formate;hydrochloride
SMILESC.C.CN(C)Cc1cc(S(=O)(=O)c2ccc(F)cc2)ccc1F.COc1ccc(C(c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)c(CN(C)C)c4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cl.O=C(c1ccc(F)cc1)c1cc(C(=O)c2ccc(F)cc2)cc(C(=O)c2ccc(F)cc2)c1.O=CO[O-].Oc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1.[H-].[K+].[K+]
InChIInChI=1S/C32H29F6NO4S.C27H15F3O3.C15H10F6O2.C15H15F2NO2S.CH2O3.2CH4.ClH.2K.H/c1-21-5-16-29(19-22(21)20-39(2)3)44(40,41)28-17-14-27(15-18-28)43-26-12-8-24(9-13-26)30(31(33,34)35,32(36,37)38)23-6-10-25(42-4)11-7-23;28-22-7-1-16(2-8-22)25(31)19-13-20(26(32)17-3-9-23(29)10-4-17)15-21(14-19)27(33)18-5-11-24(30)12-6-18;16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10;1-18(2)10-11-9-14(7-8-15(11)17)21(19,20)13-5-3-12(16)4-6-13;2-1-4-3;;;;;;/h5-19H,20H2,1-4H3;1-15H;1-8,22-23H;3-9H,10H2,1-2H3;1,3H;2*1H4;1H;;;/q;;;;;;;;2*+1;-1/p-1
InChIKeyQZWLIJJBLBYFRL-UHFFFAOYSA-M
MW1938.40 g/mol
LogP15.51
Rot. Bonds22

About dipotassium;[3,5-bis(4-fluorobenzoyl)phenyl]-(4-fluorophenyl)methanone;1-[2-fluoro-5-(4-fluorophenyl)sulfonylphenyl]-N,N-dimethylmethanamine;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[5-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-2-methylphenyl]-N,N-dimethylmethanamine;hydride;methane;oxido formate;hydrochloride

dipotassium;[3,5-bis(4-fluorobenzoyl)phenyl]-(4-fluorophenyl)methanone;1-[2-fluoro-5-(4-fluorophenyl)sulfonylphenyl]-N,N-dimethylmethanamine;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[5-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-2-methylphenyl]-N,N-dimethylmethanamine;hydride;methane;oxido formate;hydrochloride (PubChem CID 161420533) has the molecular formula C92H80ClF17K2N2O14S2 and a molecular weight of 1938.40 g/mol. Its IUPAC name is dipotassium;[3,5-bis(4-fluorobenzoyl)phenyl]-(4-fluorophenyl)methanone;1-[2-fluoro-5-(4-fluorophenyl)sulfonylphenyl]-N,N-dimethylmethanamine;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[5-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-2-methylphenyl]-N,N-dimethylmethanamine;hydride;methane;oxido formate;hydrochloride.

Molecular Properties

Compound Namedipotassium;[3,5-bis(4-fluorobenzoyl)phenyl]-(4-fluorophenyl)methanone;1-[2-fluoro-5-(4-fluorophenyl)sulfonylphenyl]-N,N-dimethylmethanamine;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[5-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-2-methylphenyl]-N,N-dimethylmethanamine;hydride;methane;oxido formate;hydrochloride
PubChem CID161420533
Molecular FormulaC92H80ClF17K2N2O14S2
Molecular Weight1938.40 g/mol
Exact Mass1936.37
IUPAC Namedipotassium;[3,5-bis(4-fluorobenzoyl)phenyl]-(4-fluorophenyl)methanone;1-[2-fluoro-5-(4-fluorophenyl)sulfonylphenyl]-N,N-dimethylmethanamine;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[5-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-2-methylphenyl]-N,N-dimethylmethanamine;hydride;methane;oxido formate;hydrochloride
SMILESC.C.CN(C)Cc1cc(S(=O)(=O)c2ccc(F)cc2)ccc1F.COc1ccc(C(c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)c(CN(C)C)c4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cl.O=C(c1ccc(F)cc1)c1cc(C(=O)c2ccc(F)cc2)cc(C(=O)c2ccc(F)cc2)c1.O=CO[O-].Oc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1.[H-].[K+].[K+]
InChIInChI=1S/C32H29F6NO4S.C27H15F3O3.C15H10F6O2.C15H15F2NO2S.CH2O3.2CH4.ClH.2K.H/c1-21-5-16-29(19-22(21)20-39(2)3)44(40,41)28-17-14-27(15-18-28)43-26-12-8-24(9-13-26)30(31(33,34)35,32(36,37)38)23-6-10-25(42-4)11-7-23;28-22-7-1-16(2-8-22)25(31)19-13-20(26(32)17-3-9-23(29)10-4-17)15-21(14-19)27(33)18-5-11-24(30)12-6-18;16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10;1-18(2)10-11-9-14(7-8-15(11)17)21(19,20)13-5-3-12(16)4-6-13;2-1-4-3;;;;;;/h5-19H,20H2,1-4H3;1-15H;1-8,22-23H;3-9H,10H2,1-2H3;1,3H;2*1H4;1H;;;/q;;;;;;;;2*+1;-1/p-1
InChIKeyQZWLIJJBLBYFRL-UHFFFAOYSA-M
XLogP15.51
TPSA234.25 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001938.40
LogP ≤ 515.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

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;[3,5-bis(4-fluorobenzoyl)phenyl]-(4-fluorophenyl)methanone;1-[2-fluoro-5-(4-fluorophenyl)sulfonylphenyl]-N,N-dimethylmethanamine;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[5-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-2-methylphenyl]-N,N-dimethylmethanamine;hydride;methane;oxido formate;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of dipotassium;[3,5-bis(4-fluorobenzoyl)phenyl]-(4-fluorophenyl)methanone;1-[2-fluoro-5-(4-fluorophenyl)sulfonylphenyl]-N,N-dimethylmethanamine;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[5-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-2-methylphenyl]-N,N-dimethylmethanamine;hydride;methane;oxido formate;hydrochloride?
The IUPAC name of dipotassium;[3,5-bis(4-fluorobenzoyl)phenyl]-(4-fluorophenyl)methanone;1-[2-fluoro-5-(4-fluorophenyl)sulfonylphenyl]-N,N-dimethylmethanamine;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[5-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-2-methylphenyl]-N,N-dimethylmethanamine;hydride;methane;oxido formate;hydrochloride (CID 161420533) is dipotassium;[3,5-bis(4-fluorobenzoyl)phenyl]-(4-fluorophenyl)methanone;1-[2-fluoro-5-(4-fluorophenyl)sulfonylphenyl]-N,N-dimethylmethanamine;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[5-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-2-methylphenyl]-N,N-dimethylmethanamine;hydride;methane;oxido formate;hydrochloride.
What is the SMILES notation for dipotassium;[3,5-bis(4-fluorobenzoyl)phenyl]-(4-fluorophenyl)methanone;1-[2-fluoro-5-(4-fluorophenyl)sulfonylphenyl]-N,N-dimethylmethanamine;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[5-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-2-methylphenyl]-N,N-dimethylmethanamine;hydride;methane;oxido formate;hydrochloride?
The canonical SMILES for dipotassium;[3,5-bis(4-fluorobenzoyl)phenyl]-(4-fluorophenyl)methanone;1-[2-fluoro-5-(4-fluorophenyl)sulfonylphenyl]-N,N-dimethylmethanamine;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[5-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-2-methylphenyl]-N,N-dimethylmethanamine;hydride;methane;oxido formate;hydrochloride is C.C.CN(C)Cc1cc(S(=O)(=O)c2ccc(F)cc2)ccc1F.COc1ccc(C(c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)c(CN(C)C)c4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cl.O=C(c1ccc(F)cc1)c1cc(C(=O)c2ccc(F)cc2)cc(C(=O)c2ccc(F)cc2)c1.O=CO[O-].Oc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1.[H-].[K+].[K+].
What is the InChIKey of dipotassium;[3,5-bis(4-fluorobenzoyl)phenyl]-(4-fluorophenyl)methanone;1-[2-fluoro-5-(4-fluorophenyl)sulfonylphenyl]-N,N-dimethylmethanamine;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[5-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-2-methylphenyl]-N,N-dimethylmethanamine;hydride;methane;oxido formate;hydrochloride?
The InChIKey is QZWLIJJBLBYFRL-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H29F6NO4S.C27H15F3O3.C15H10F6O2.C15H15F2NO2S.CH2O3.2CH4.ClH.2K.H/c1-21-5-16-29(19-22(21)20-39(2)3)44(40,41)28-17-14-27(15-18-28)43-26-12-8-24(9-13-26)30(31(33,34)35,32(36,37)38)23-6-10-25(42-4)11-7-23;28-22-7-1-16(2-8-22)25(31)19-13-20(26(32)17-3-9-23(29)10-4-17)15-21(14-19)27(33)18-5-11-24(30)12-6-18;16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10;1-18(2)10-11-9-14(7-8-15(11)17)21(19,20)13-5-3-12(16)4-6-13;2-1-4-3;;;;;;/h5-19H,20H2,1-4H3;1-15H;1-8,22-23H;3-9H,10H2,1-2H3;1,3H;2*1H4;1H;;;/q;;;;;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;[3,5-bis(4-fluorobenzoyl)phenyl]-(4-fluorophenyl)methanone;1-[2-fluoro-5-(4-fluorophenyl)sulfonylphenyl]-N,N-dimethylmethanamine;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[5-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-2-methylphenyl]-N,N-dimethylmethanamine;hydride;methane;oxido formate;hydrochloride?
dipotassium;[3,5-bis(4-fluorobenzoyl)phenyl]-(4-fluorophenyl)methanone;1-[2-fluoro-5-(4-fluorophenyl)sulfonylphenyl]-N,N-dimethylmethanamine;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[5-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-2-methylphenyl]-N,N-dimethylmethanamine;hydride;methane;oxido formate;hydrochloride has a molecular weight of 1938.40 g/mol, XLogP of 15.51, 22 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;[3,5-bis(4-fluorobenzoyl)phenyl]-(4-fluorophenyl)methanone;1-[2-fluoro-5-(4-fluorophenyl)sulfonylphenyl]-N,N-dimethylmethanamine;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[5-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-2-methylphenyl]-N,N-dimethylmethanamine;hydride;methane;oxido formate;hydrochloride is sourced from PubChem (CID 161420533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).