2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]-2-methylpropoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;3,6-ditert-butyl-9-[2-(oxan-2-yloxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole;4-fluoro-1-[3-(4-fluoro-2-iodophenoxy)-2-methylpropoxy]-2-iodobenzene

C145H180BF4I2N3O10 — CID 158317138

About 2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]-2-methylpropoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;3,6-ditert-butyl-9-[2-(oxan-2-yloxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole;4-fluoro-1-[3-(4-fluoro-2-iodophenoxy)-2-methylpropoxy]-2-iodobenzene

2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]-2-methylpropoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;3,6-ditert-butyl-9-[2-(oxan-2-yloxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole;4-fluoro-1-[3-(4-fluoro-2-iodophenoxy)-2-methylpropoxy]-2-iodobenzene (PubChem CID 158317138) has the molecular formula C145H180BF4I2N3O10 and a molecular weight of 2465.66 g/mol. Its IUPAC name is 2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]-2-methylpropoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;3,6-ditert-butyl-9-[2-(oxan-2-yloxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole;4-fluoro-1-[3-(4-fluoro-2-iodophenoxy)-2-methylpropoxy]-2-iodobenzene.

Molecular Properties

• Compound Name: 2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]-2-methylpropoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;3,6-ditert-butyl-9-[2-(oxan-2-yloxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole;4-fluoro-1-[3-(4-fluoro-2-iodophenoxy)-2-methylpropoxy]-2-iodobenzene
• PubChem CID: 158317138
• Molecular Formula: C145H180BF4I2N3O10
• Molecular Weight: 2465.66 g/mol
• Exact Mass: 2464.18
• IUPAC Name: 2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]-2-methylpropoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;3,6-ditert-butyl-9-[2-(oxan-2-yloxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole;4-fluoro-1-[3-(4-fluoro-2-iodophenoxy)-2-methylpropoxy]-2-iodobenzene
• SMILES: CC(C)(C)CC(C)(C)c1cc(B2OC(C)(C)C(C)(C)O2)c(OC2CCCCO2)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1.CC(COc1ccc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1O)COc1ccc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1O.CC(COc1ccc(F)cc1I)COc1ccc(F)cc1I
• InChI: InChI=1S/C84H102F2N2O4.C45H64BNO4.C16H14F2I2O2/c1-50(46-91-73-34-28-57(85)44-63(73)65-40-55(83(20,21)48-77(2,3)4)42-71(75(65)89)87-67-30-24-51(79(8,9)10)36-59(67)60-37-52(80(11,12)13)25-31-68(60)87)47-92-74-35-29-58(86)45-64(74)66-41-56(84(22,23)49-78(5,6)7)43-72(76(66)90)88-69-32-26-53(81(14,15)16)38-61(69)62-39-54(82(17,18)19)27-33-70(62)88;1-40(2,3)28-43(10,11)31-26-34(46-50-44(12,13)45(14,15)51-46)39(49-38-18-16-17-23-48-38)37(27-31)47-35-21-19-29(41(4,5)6)24-32(35)33-25-30(42(7,8)9)20-22-36(33)47;1-10(8-21-15-4-2-11(17)6-13(15)19)9-22-16-5-3-12(18)7-14(16)20/h24-45,50,89-90H,46-49H2,1-23H3;19-22,24-27,38H,16-18,23,28H2,1-15H3;2-7,10H,8-9H2,1H3
• InChIKey: GOJXYERDTYZPNG-UHFFFAOYSA-N
• XLogP: 40.18
• TPSA: 129.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 26
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2465.66
LogP ≤ 5	40.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]-2-methylpropoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;3,6-ditert-butyl-9-[2-(oxan-2-yloxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole;4-fluoro-1-[3-(4-fluoro-2-iodophenoxy)-2-methylpropoxy]-2-iodobenzene?

The IUPAC name of 2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]-2-methylpropoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;3,6-ditert-butyl-9-[2-(oxan-2-yloxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole;4-fluoro-1-[3-(4-fluoro-2-iodophenoxy)-2-methylpropoxy]-2-iodobenzene (CID 158317138) is 2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]-2-methylpropoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;3,6-ditert-butyl-9-[2-(oxan-2-yloxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole;4-fluoro-1-[3-(4-fluoro-2-iodophenoxy)-2-methylpropoxy]-2-iodobenzene.

What is the SMILES notation for 2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]-2-methylpropoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;3,6-ditert-butyl-9-[2-(oxan-2-yloxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole;4-fluoro-1-[3-(4-fluoro-2-iodophenoxy)-2-methylpropoxy]-2-iodobenzene?

The canonical SMILES for 2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]-2-methylpropoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;3,6-ditert-butyl-9-[2-(oxan-2-yloxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole;4-fluoro-1-[3-(4-fluoro-2-iodophenoxy)-2-methylpropoxy]-2-iodobenzene is CC(C)(C)CC(C)(C)c1cc(B2OC(C)(C)C(C)(C)O2)c(OC2CCCCO2)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1.CC(COc1ccc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1O)COc1ccc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1O.CC(COc1ccc(F)cc1I)COc1ccc(F)cc1I.

What is the InChIKey of 2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]-2-methylpropoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;3,6-ditert-butyl-9-[2-(oxan-2-yloxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole;4-fluoro-1-[3-(4-fluoro-2-iodophenoxy)-2-methylpropoxy]-2-iodobenzene?

The InChIKey is GOJXYERDTYZPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H102F2N2O4.C45H64BNO4.C16H14F2I2O2/c1-50(46-91-73-34-28-57(85)44-63(73)65-40-55(83(20,21)48-77(2,3)4)42-71(75(65)89)87-67-30-24-51(79(8,9)10)36-59(67)60-37-52(80(11,12)13)25-31-68(60)87)47-92-74-35-29-58(86)45-64(74)66-41-56(84(22,23)49-78(5,6)7)43-72(76(66)90)88-69-32-26-53(81(14,15)16)38-61(69)62-39-54(82(17,18)19)27-33-70(62)88;1-40(2,3)28-43(10,11)31-26-34(46-50-44(12,13)45(14,15)51-46)39(49-38-18-16-17-23-48-38)37(27-31)47-35-21-19-29(41(4,5)6)24-32(35)33-25-30(42(7,8)9)20-22-36(33)47;1-10(8-21-15-4-2-11(17)6-13(15)19)9-22-16-5-3-12(18)7-14(16)20/h24-45,50,89-90H,46-49H2,1-23H3;19-22,24-27,38H,16-18,23,28H2,1-15H3;2-7,10H,8-9H2,1H3.

What are the key properties of 2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]-2-methylpropoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;3,6-ditert-butyl-9-[2-(oxan-2-yloxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole;4-fluoro-1-[3-(4-fluoro-2-iodophenoxy)-2-methylpropoxy]-2-iodobenzene?

2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]-2-methylpropoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;3,6-ditert-butyl-9-[2-(oxan-2-yloxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole;4-fluoro-1-[3-(4-fluoro-2-iodophenoxy)-2-methylpropoxy]-2-iodobenzene has a molecular weight of 2465.66 g/mol, XLogP of 40.18, 26 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]-2-methylpropoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;3,6-ditert-butyl-9-[2-(oxan-2-yloxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole;4-fluoro-1-[3-(4-fluoro-2-iodophenoxy)-2-methylpropoxy]-2-iodobenzene is sourced from PubChem (CID 158317138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).