2-(2,6-ditert-butylanthracen-9-yl)-6-[2-[3-[2-[3-(2,6-ditert-butylanthracen-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;2-(2,6-ditert-butylanthracen-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[5-fluoro-2-[3-[4-fluoro-2-[2-hydroxy-3-iodo-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]propoxy]phenyl]-6-iodo-4-(2,4,4-trimethylpentan-2-yl)phenol

C158H191BF4I2O10 — CID 158171209

About 2-(2,6-ditert-butylanthracen-9-yl)-6-[2-[3-[2-[3-(2,6-ditert-butylanthracen-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;2-(2,6-ditert-butylanthracen-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[5-fluoro-2-[3-[4-fluoro-2-[2-hydroxy-3-iodo-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]propoxy]phenyl]-6-iodo-4-(2,4,4-trimethylpentan-2-yl)phenol

2-(2,6-ditert-butylanthracen-9-yl)-6-[2-[3-[2-[3-(2,6-ditert-butylanthracen-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;2-(2,6-ditert-butylanthracen-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[5-fluoro-2-[3-[4-fluoro-2-[2-hydroxy-3-iodo-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]propoxy]phenyl]-6-iodo-4-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 158171209) has the molecular formula C158H191BF4I2O10 and a molecular weight of 2590.87 g/mol. Its IUPAC name is 2-(2,6-ditert-butylanthracen-9-yl)-6-[2-[3-[2-[3-(2,6-ditert-butylanthracen-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;2-(2,6-ditert-butylanthracen-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[5-fluoro-2-[3-[4-fluoro-2-[2-hydroxy-3-iodo-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]propoxy]phenyl]-6-iodo-4-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

• Compound Name: 2-(2,6-ditert-butylanthracen-9-yl)-6-[2-[3-[2-[3-(2,6-ditert-butylanthracen-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;2-(2,6-ditert-butylanthracen-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[5-fluoro-2-[3-[4-fluoro-2-[2-hydroxy-3-iodo-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]propoxy]phenyl]-6-iodo-4-(2,4,4-trimethylpentan-2-yl)phenol
• PubChem CID: 158171209
• Molecular Formula: C158H191BF4I2O10
• Molecular Weight: 2590.87 g/mol
• Exact Mass: 2589.26
• IUPAC Name: 2-(2,6-ditert-butylanthracen-9-yl)-6-[2-[3-[2-[3-(2,6-ditert-butylanthracen-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;2-(2,6-ditert-butylanthracen-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[5-fluoro-2-[3-[4-fluoro-2-[2-hydroxy-3-iodo-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]propoxy]phenyl]-6-iodo-4-(2,4,4-trimethylpentan-2-yl)phenol
• SMILES: CC(C)(C)CC(C)(C)c1cc(-c2cc(F)ccc2OCCCOc2ccc(F)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-c3c4ccc(C(C)(C)C)cc4cc4ccc(C(C)(C)C)cc34)c2O)c(O)c(-c2c3ccc(C(C)(C)C)cc3cc3ccc(C(C)(C)C)cc23)c1.CC(C)(C)CC(C)(C)c1cc(I)c(O)c(-c2cc(F)ccc2OCCCOc2ccc(F)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(I)c2O)c1.CC(C)(C)c1ccc2c(B3OC(C)(C)C(C)(C)O3)c3cc(C(C)(C)C)ccc3cc2c1
• InChI: InChI=1S/C87H102F2O4.C43H52F2I2O4.C28H37BO2/c1-80(2,3)50-86(19,20)60-44-70(78(90)72(46-60)76-64-32-28-56(82(7,8)9)40-54(64)38-52-24-26-58(42-66(52)76)84(13,14)15)68-48-62(88)30-34-74(68)92-36-23-37-93-75-35-31-63(89)49-69(75)71-45-61(87(21,22)51-81(4,5)6)47-73(79(71)91)77-65-33-29-57(83(10,11)12)41-55(65)39-53-25-27-59(43-67(53)77)85(16,17)18;1-40(2,3)24-42(7,8)26-18-32(38(48)34(46)20-26)30-22-28(44)12-14-36(30)50-16-11-17-51-37-15-13-29(45)23-31(37)33-19-27(21-35(47)39(33)49)43(9,10)25-41(4,5)6;1-25(2,3)20-13-14-22-19(16-20)15-18-11-12-21(26(4,5)6)17-23(18)24(22)29-30-27(7,8)28(9,10)31-29/h24-35,38-49,90-91H,23,36-37,50-51H2,1-22H3;12-15,18-23,48-49H,11,16-17,24-25H2,1-10H3;11-17H,1-10H3
• InChIKey: FXLXYSMMWCWLPP-UHFFFAOYSA-N
• XLogP: 45.20
• TPSA: 136.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 27
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2590.87
LogP ≤ 5	45.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-ditert-butylanthracen-9-yl)-6-[2-[3-[2-[3-(2,6-ditert-butylanthracen-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;2-(2,6-ditert-butylanthracen-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[5-fluoro-2-[3-[4-fluoro-2-[2-hydroxy-3-iodo-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]propoxy]phenyl]-6-iodo-4-(2,4,4-trimethylpentan-2-yl)phenol?

The IUPAC name of 2-(2,6-ditert-butylanthracen-9-yl)-6-[2-[3-[2-[3-(2,6-ditert-butylanthracen-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;2-(2,6-ditert-butylanthracen-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[5-fluoro-2-[3-[4-fluoro-2-[2-hydroxy-3-iodo-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]propoxy]phenyl]-6-iodo-4-(2,4,4-trimethylpentan-2-yl)phenol (CID 158171209) is 2-(2,6-ditert-butylanthracen-9-yl)-6-[2-[3-[2-[3-(2,6-ditert-butylanthracen-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;2-(2,6-ditert-butylanthracen-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[5-fluoro-2-[3-[4-fluoro-2-[2-hydroxy-3-iodo-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]propoxy]phenyl]-6-iodo-4-(2,4,4-trimethylpentan-2-yl)phenol.

What is the SMILES notation for 2-(2,6-ditert-butylanthracen-9-yl)-6-[2-[3-[2-[3-(2,6-ditert-butylanthracen-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;2-(2,6-ditert-butylanthracen-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[5-fluoro-2-[3-[4-fluoro-2-[2-hydroxy-3-iodo-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]propoxy]phenyl]-6-iodo-4-(2,4,4-trimethylpentan-2-yl)phenol?

The canonical SMILES for 2-(2,6-ditert-butylanthracen-9-yl)-6-[2-[3-[2-[3-(2,6-ditert-butylanthracen-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;2-(2,6-ditert-butylanthracen-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[5-fluoro-2-[3-[4-fluoro-2-[2-hydroxy-3-iodo-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]propoxy]phenyl]-6-iodo-4-(2,4,4-trimethylpentan-2-yl)phenol is CC(C)(C)CC(C)(C)c1cc(-c2cc(F)ccc2OCCCOc2ccc(F)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-c3c4ccc(C(C)(C)C)cc4cc4ccc(C(C)(C)C)cc34)c2O)c(O)c(-c2c3ccc(C(C)(C)C)cc3cc3ccc(C(C)(C)C)cc23)c1.CC(C)(C)CC(C)(C)c1cc(I)c(O)c(-c2cc(F)ccc2OCCCOc2ccc(F)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(I)c2O)c1.CC(C)(C)c1ccc2c(B3OC(C)(C)C(C)(C)O3)c3cc(C(C)(C)C)ccc3cc2c1.

What is the InChIKey of 2-(2,6-ditert-butylanthracen-9-yl)-6-[2-[3-[2-[3-(2,6-ditert-butylanthracen-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;2-(2,6-ditert-butylanthracen-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[5-fluoro-2-[3-[4-fluoro-2-[2-hydroxy-3-iodo-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]propoxy]phenyl]-6-iodo-4-(2,4,4-trimethylpentan-2-yl)phenol?

The InChIKey is FXLXYSMMWCWLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H102F2O4.C43H52F2I2O4.C28H37BO2/c1-80(2,3)50-86(19,20)60-44-70(78(90)72(46-60)76-64-32-28-56(82(7,8)9)40-54(64)38-52-24-26-58(42-66(52)76)84(13,14)15)68-48-62(88)30-34-74(68)92-36-23-37-93-75-35-31-63(89)49-69(75)71-45-61(87(21,22)51-81(4,5)6)47-73(79(71)91)77-65-33-29-57(83(10,11)12)41-55(65)39-53-25-27-59(43-67(53)77)85(16,17)18;1-40(2,3)24-42(7,8)26-18-32(38(48)34(46)20-26)30-22-28(44)12-14-36(30)50-16-11-17-51-37-15-13-29(45)23-31(37)33-19-27(21-35(47)39(33)49)43(9,10)25-41(4,5)6;1-25(2,3)20-13-14-22-19(16-20)15-18-11-12-21(26(4,5)6)17-23(18)24(22)29-30-27(7,8)28(9,10)31-29/h24-35,38-49,90-91H,23,36-37,50-51H2,1-22H3;12-15,18-23,48-49H,11,16-17,24-25H2,1-10H3;11-17H,1-10H3.

What are the key properties of 2-(2,6-ditert-butylanthracen-9-yl)-6-[2-[3-[2-[3-(2,6-ditert-butylanthracen-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;2-(2,6-ditert-butylanthracen-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[5-fluoro-2-[3-[4-fluoro-2-[2-hydroxy-3-iodo-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]propoxy]phenyl]-6-iodo-4-(2,4,4-trimethylpentan-2-yl)phenol?

2-(2,6-ditert-butylanthracen-9-yl)-6-[2-[3-[2-[3-(2,6-ditert-butylanthracen-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;2-(2,6-ditert-butylanthracen-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[5-fluoro-2-[3-[4-fluoro-2-[2-hydroxy-3-iodo-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]propoxy]phenyl]-6-iodo-4-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 2590.87 g/mol, XLogP of 45.20, 27 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-ditert-butylanthracen-9-yl)-6-[2-[3-[2-[3-(2,6-ditert-butylanthracen-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;2-(2,6-ditert-butylanthracen-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[5-fluoro-2-[3-[4-fluoro-2-[2-hydroxy-3-iodo-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]propoxy]phenyl]-6-iodo-4-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 158171209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).