2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]isoindole-1,3-dione;5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]isoindole-1,3-dione;3-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-2,4-dihydro-1,3-benzoxazine

C144H140F18N6O14 — CID 165056052

About 2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]isoindole-1,3-dione;5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]isoindole-1,3-dione;3-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-2,4-dihydro-1,3-benzoxazine

2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]isoindole-1,3-dione;5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]isoindole-1,3-dione;3-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-2,4-dihydro-1,3-benzoxazine (PubChem CID 165056052) has the molecular formula C144H140F18N6O14 and a molecular weight of 2520.70 g/mol. Its IUPAC name is 2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]isoindole-1,3-dione;5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]isoindole-1,3-dione;3-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

• Compound Name: 2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]isoindole-1,3-dione;5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]isoindole-1,3-dione;3-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-2,4-dihydro-1,3-benzoxazine
• PubChem CID: 165056052
• Molecular Formula: C144H140F18N6O14
• Molecular Weight: 2520.70 g/mol
• Exact Mass: 2519.01
• IUPAC Name: 2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]isoindole-1,3-dione;5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]isoindole-1,3-dione;3-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-2,4-dihydro-1,3-benzoxazine
• SMILES: CC(c1ccc2c(c1)C(=O)NC2=O)(c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(C(c4ccc(Oc5ccc(N6COc7ccccc7C6)cc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc1)C2=O)C(F)(F)F.CC(c1ccc2c(c1)C(=O)NC2=O)(c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(C(c4ccc(Oc5ccccc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc1)C2=O)C(F)(F)F.CCCCCCCCC1C(CCCCCC)CCC(CCCCCCCCN2COc3ccccc3C2)C1CCCCCCCC
• InChI: InChI=1S/C54H34F9N3O7.C46H27F9N2O6.C44H79NO/c1-50(52(55,56)57,33-10-24-41-43(26-33)47(68)64-46(41)67)34-11-25-42-44(27-34)49(70)66(48(42)69)36-14-22-40(23-15-36)73-38-18-8-32(9-19-38)51(53(58,59)60,54(61,62)63)31-6-16-37(17-7-31)72-39-20-12-35(13-21-39)65-28-30-4-2-3-5-45(30)71-29-65;1-42(44(47,48)49,27-11-21-34-36(23-27)39(59)56-38(34)58)28-12-22-35-37(24-28)41(61)57(40(35)60)29-13-19-33(20-14-29)63-32-17-9-26(10-18-32)43(45(50,51)52,46(53,54)55)25-7-15-31(16-8-25)62-30-5-3-2-4-6-30;1-4-7-10-13-18-23-31-42-39(28-21-12-9-6-3)34-35-40(43(42)32-24-19-14-11-8-5-2)29-22-17-15-16-20-27-36-45-37-41-30-25-26-33-44(41)46-38-45/h2-27H,28-29H2,1H3,(H,64,67,68);2-24H,1H3,(H,56,58,59);25-26,30,33,39-40,42-43H,4-24,27-29,31-32,34-38H2,1-3H3
• InChIKey: QKZGGLUNLCHXMN-UHFFFAOYSA-N
• XLogP: 38.12
• TPSA: 228.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 47
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2520.70
LogP ≤ 5	38.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]isoindole-1,3-dione;5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]isoindole-1,3-dione;3-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-2,4-dihydro-1,3-benzoxazine?

The IUPAC name of 2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]isoindole-1,3-dione;5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]isoindole-1,3-dione;3-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-2,4-dihydro-1,3-benzoxazine (CID 165056052) is 2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]isoindole-1,3-dione;5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]isoindole-1,3-dione;3-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-2,4-dihydro-1,3-benzoxazine.

What is the SMILES notation for 2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]isoindole-1,3-dione;5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]isoindole-1,3-dione;3-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-2,4-dihydro-1,3-benzoxazine?

The canonical SMILES for 2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]isoindole-1,3-dione;5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]isoindole-1,3-dione;3-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-2,4-dihydro-1,3-benzoxazine is CC(c1ccc2c(c1)C(=O)NC2=O)(c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(C(c4ccc(Oc5ccc(N6COc7ccccc7C6)cc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc1)C2=O)C(F)(F)F.CC(c1ccc2c(c1)C(=O)NC2=O)(c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(C(c4ccc(Oc5ccccc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc1)C2=O)C(F)(F)F.CCCCCCCCC1C(CCCCCC)CCC(CCCCCCCCN2COc3ccccc3C2)C1CCCCCCCC.

What is the InChIKey of 2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]isoindole-1,3-dione;5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]isoindole-1,3-dione;3-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-2,4-dihydro-1,3-benzoxazine?

The InChIKey is QKZGGLUNLCHXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34F9N3O7.C46H27F9N2O6.C44H79NO/c1-50(52(55,56)57,33-10-24-41-43(26-33)47(68)64-46(41)67)34-11-25-42-44(27-34)49(70)66(48(42)69)36-14-22-40(23-15-36)73-38-18-8-32(9-19-38)51(53(58,59)60,54(61,62)63)31-6-16-37(17-7-31)72-39-20-12-35(13-21-39)65-28-30-4-2-3-5-45(30)71-29-65;1-42(44(47,48)49,27-11-21-34-36(23-27)39(59)56-38(34)58)28-12-22-35-37(24-28)41(61)57(40(35)60)29-13-19-33(20-14-29)63-32-17-9-26(10-18-32)43(45(50,51)52,46(53,54)55)25-7-15-31(16-8-25)62-30-5-3-2-4-6-30;1-4-7-10-13-18-23-31-42-39(28-21-12-9-6-3)34-35-40(43(42)32-24-19-14-11-8-5-2)29-22-17-15-16-20-27-36-45-37-41-30-25-26-33-44(41)46-38-45/h2-27H,28-29H2,1H3,(H,64,67,68);2-24H,1H3,(H,56,58,59);25-26,30,33,39-40,42-43H,4-24,27-29,31-32,34-38H2,1-3H3.

What are the key properties of 2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]isoindole-1,3-dione;5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]isoindole-1,3-dione;3-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-2,4-dihydro-1,3-benzoxazine?

2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]isoindole-1,3-dione;5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]isoindole-1,3-dione;3-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-2,4-dihydro-1,3-benzoxazine has a molecular weight of 2520.70 g/mol, XLogP of 38.12, 47 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[2-[4-[4-(2,4-dihydro-1,3-benzoxazin-3-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]isoindole-1,3-dione;5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]isoindole-1,3-dione;3-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 165056052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).