5-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;4-[[(1R)-1-[4-(1,1,3-trioxothiazinan-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile

C171H184N10O36S7 — CID 158688149

About 5-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;4-[[(1R)-1-[4-(1,1,3-trioxothiazinan-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile

5-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;4-[[(1R)-1-[4-(1,1,3-trioxothiazinan-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile (PubChem CID 158688149) has the molecular formula C171H184N10O36S7 and a molecular weight of 3179.86 g/mol. Its IUPAC name is 5-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;4-[[(1R)-1-[4-(1,1,3-trioxothiazinan-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile.

Molecular Properties

• Compound Name: 5-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;4-[[(1R)-1-[4-(1,1,3-trioxothiazinan-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile
• PubChem CID: 158688149
• Molecular Formula: C171H184N10O36S7
• Molecular Weight: 3179.86 g/mol
• Exact Mass: 3177.09
• IUPAC Name: 5-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;4-[[(1R)-1-[4-(1,1,3-trioxothiazinan-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile
• SMILES: COc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3CC(=O)NS(=O)(=O)C3)cc2)cn1.Cc1cc(OCCC(C)(C)O)cc(C)c1-c1cccc2c1CC[C@H]2Oc1ccc(C2CC(=O)NS(=O)(=O)C2)cc1.Cc1cc(OCCC(C)(C)O)nc(C)c1-c1cccc(COc2ccc(C3CC(=O)NS(=O)(=O)C3)cc2)c1.Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(C3CC(=O)NS(=O)(=O)C3)cc2)c1.Cc1nc(OCCC(C)(C)O)ccc1-c1cccc2c1CC[C@H]2Oc1ccc(C2CC(=O)NS(=O)(=O)C2)cc1.N#Cc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3CC(=O)NS(=O)(=O)C3)cc2)cc1
• InChI: InChI=1S/C32H37NO6S.C30H34N2O6S.C29H34N2O6S.C29H33NO7S2.C26H22N2O5S.C25H24N2O6S/c1-20-16-25(38-15-14-32(3,4)35)17-21(2)31(20)28-7-5-6-27-26(28)12-13-29(27)39-24-10-8-22(9-11-24)23-18-30(34)33-40(36,37)19-23;1-19-23(12-14-29(31-19)37-16-15-30(2,3)34)24-5-4-6-26-25(24)11-13-27(26)38-22-9-7-20(8-10-22)21-17-28(33)32-39(35,36)18-21;1-19-14-27(36-13-12-29(3,4)33)30-20(2)28(19)23-7-5-6-21(15-23)17-37-25-10-8-22(9-11-25)24-16-26(32)31-38(34,35)18-24;1-20-14-27(36-12-5-13-38(3,32)33)15-21(2)29(20)24-7-4-6-22(16-24)18-37-26-10-8-23(9-11-26)25-17-28(31)30-39(34,35)19-25;27-15-17-4-8-20(9-5-17)32-24-3-1-2-22-23(24)12-13-25(22)33-21-10-6-18(7-11-21)19-14-26(29)28-34(30,31)16-19;1-31-25-12-9-19(14-26-25)33-22-4-2-3-20-21(22)10-11-23(20)32-18-7-5-16(6-8-18)17-13-24(28)27-34(29,30)15-17/h5-11,16-17,23,29,35H,12-15,18-19H2,1-4H3,(H,33,34);4-10,12,14,21,27,34H,11,13,15-18H2,1-3H3,(H,32,33);5-11,14-15,24,33H,12-13,16-18H2,1-4H3,(H,31,32);4,6-11,14-16,25H,5,12-13,17-19H2,1-3H3,(H,30,31);1-11,19,25H,12-14,16H2,(H,28,29);2-9,12,14,17,23H,10-11,13,15H2,1H3,(H,27,28)/t23?,29-;21?,27-;;;19?,25-;17?,23-/m11..11/s1
• InChIKey: IFZQNYKKSMVLFK-WHVRYBERSA-N
• XLogP: 27.05
• TPSA: 656.72 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 40
• Rotatable Bonds: 46
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3179.86
LogP ≤ 5	27.05
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;4-[[(1R)-1-[4-(1,1,3-trioxothiazinan-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile?

The IUPAC name of 5-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;4-[[(1R)-1-[4-(1,1,3-trioxothiazinan-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile (CID 158688149) is 5-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;4-[[(1R)-1-[4-(1,1,3-trioxothiazinan-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile.

What is the SMILES notation for 5-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;4-[[(1R)-1-[4-(1,1,3-trioxothiazinan-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile?

The canonical SMILES for 5-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;4-[[(1R)-1-[4-(1,1,3-trioxothiazinan-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile is COc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3CC(=O)NS(=O)(=O)C3)cc2)cn1.Cc1cc(OCCC(C)(C)O)cc(C)c1-c1cccc2c1CC[C@H]2Oc1ccc(C2CC(=O)NS(=O)(=O)C2)cc1.Cc1cc(OCCC(C)(C)O)nc(C)c1-c1cccc(COc2ccc(C3CC(=O)NS(=O)(=O)C3)cc2)c1.Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc(C3CC(=O)NS(=O)(=O)C3)cc2)c1.Cc1nc(OCCC(C)(C)O)ccc1-c1cccc2c1CC[C@H]2Oc1ccc(C2CC(=O)NS(=O)(=O)C2)cc1.N#Cc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3CC(=O)NS(=O)(=O)C3)cc2)cc1.

What is the InChIKey of 5-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;4-[[(1R)-1-[4-(1,1,3-trioxothiazinan-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile?

The InChIKey is IFZQNYKKSMVLFK-WHVRYBERSA-N. The full InChI is InChI=1S/C32H37NO6S.C30H34N2O6S.C29H34N2O6S.C29H33NO7S2.C26H22N2O5S.C25H24N2O6S/c1-20-16-25(38-15-14-32(3,4)35)17-21(2)31(20)28-7-5-6-27-26(28)12-13-29(27)39-24-10-8-22(9-11-24)23-18-30(34)33-40(36,37)19-23;1-19-23(12-14-29(31-19)37-16-15-30(2,3)34)24-5-4-6-26-25(24)11-13-27(26)38-22-9-7-20(8-10-22)21-17-28(33)32-39(35,36)18-21;1-19-14-27(36-13-12-29(3,4)33)30-20(2)28(19)23-7-5-6-21(15-23)17-37-25-10-8-22(9-11-25)24-16-26(32)31-38(34,35)18-24;1-20-14-27(36-12-5-13-38(3,32)33)15-21(2)29(20)24-7-4-6-22(16-24)18-37-26-10-8-23(9-11-26)25-17-28(31)30-39(34,35)19-25;27-15-17-4-8-20(9-5-17)32-24-3-1-2-22-23(24)12-13-25(22)33-21-10-6-18(7-11-21)19-14-26(29)28-34(30,31)16-19;1-31-25-12-9-19(14-26-25)33-22-4-2-3-20-21(22)10-11-23(20)32-18-7-5-16(6-8-18)17-13-24(28)27-34(29,30)15-17/h5-11,16-17,23,29,35H,12-15,18-19H2,1-4H3,(H,33,34);4-10,12,14,21,27,34H,11,13,15-18H2,1-3H3,(H,32,33);5-11,14-15,24,33H,12-13,16-18H2,1-4H3,(H,31,32);4,6-11,14-16,25H,5,12-13,17-19H2,1-3H3,(H,30,31);1-11,19,25H,12-14,16H2,(H,28,29);2-9,12,14,17,23H,10-11,13,15H2,1H3,(H,27,28)/t23?,29-;21?,27-;;;19?,25-;17?,23-/m11..11/s1.

What are the key properties of 5-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;4-[[(1R)-1-[4-(1,1,3-trioxothiazinan-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile?

5-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;4-[[(1R)-1-[4-(1,1,3-trioxothiazinan-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile has a molecular weight of 3179.86 g/mol, XLogP of 27.05, 46 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[3-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]phenyl]methoxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxothiazinan-3-one;4-[[(1R)-1-[4-(1,1,3-trioxothiazinan-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile is sourced from PubChem (CID 158688149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).