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

C190H167F27N8O20 — CID 165015135

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;5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]isoindole-1,3-dione;3-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]-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;5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]isoindole-1,3-dione;3-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]-2,4-dihydro-1,3-benzoxazine (PubChem CID 165015135) has the molecular formula C190H167F27N8O20 and a molecular weight of 3395.41 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;5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]isoindole-1,3-dione;3-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]-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;5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]isoindole-1,3-dione;3-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]-2,4-dihydro-1,3-benzoxazine
• PubChem CID: 165015135
• Molecular Formula: C190H167F27N8O20
• Molecular Weight: 3395.41 g/mol
• Exact Mass: 3393.19
• 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;5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]isoindole-1,3-dione;3-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]-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(CCCCCCCCN2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)NC5=O)C(F)(F)F)cc3C2=O)C1CCCCCCCC.FC(F)(F)C(c1ccc(Oc2ccccc2)cc1)(c1ccc(Oc2ccc(N3COc4ccccc4C3)cc2)cc1)C(F)(F)F
• InChI: InChI=1S/C55H81F3N2O4.C54H34F9N3O7.C46H27F9N2O6.C35H25F6NO3/c1-5-8-11-14-19-24-29-44-40(27-22-13-10-7-3)31-32-41(45(44)30-25-20-15-12-9-6-2)28-23-18-16-17-21-26-37-60-52(63)47-36-34-43(39-49(47)53(60)64)54(4,55(56,57)58)42-33-35-46-48(38-42)51(62)59-50(46)61;1-50(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;36-34(37,38)33(35(39,40)41,25-10-16-29(17-11-25)44-28-7-2-1-3-8-28)26-12-18-30(19-13-26)45-31-20-14-27(15-21-31)42-22-24-6-4-5-9-32(24)43-23-42/h33-36,38-41,44-45H,5-32,37H2,1-4H3,(H,59,61,62);2-27H,28-29H2,1H3,(H,64,67,68);2-24H,1H3,(H,56,58,59);1-21H,22-23H2
• InChIKey: KHJNQTNGCANSEP-UHFFFAOYSA-N
• XLogP: 49.36
• TPSA: 330.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 56
• Heavy Atoms: 245
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3395.41
LogP ≤ 5	49.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

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;5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]isoindole-1,3-dione;3-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]-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;5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]isoindole-1,3-dione;3-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]-2,4-dihydro-1,3-benzoxazine (CID 165015135) 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;5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]isoindole-1,3-dione;3-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]-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;5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]isoindole-1,3-dione;3-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]-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;5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]isoindole-1,3-dione;3-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]-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(CCCCCCCCN2C(=O)c3ccc(C(C)(c4ccc5c(c4)C(=O)NC5=O)C(F)(F)F)cc3C2=O)C1CCCCCCCC.FC(F)(F)C(c1ccc(Oc2ccccc2)cc1)(c1ccc(Oc2ccc(N3COc4ccccc4C3)cc2)cc1)C(F)(F)F.

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

The InChIKey is KHJNQTNGCANSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H81F3N2O4.C54H34F9N3O7.C46H27F9N2O6.C35H25F6NO3/c1-5-8-11-14-19-24-29-44-40(27-22-13-10-7-3)31-32-41(45(44)30-25-20-15-12-9-6-2)28-23-18-16-17-21-26-37-60-52(63)47-36-34-43(39-49(47)53(60)64)54(4,55(56,57)58)42-33-35-46-48(38-42)51(62)59-50(46)61;1-50(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;36-34(37,38)33(35(39,40)41,25-10-16-29(17-11-25)44-28-7-2-1-3-8-28)26-12-18-30(19-13-26)45-31-20-14-27(15-21-31)42-22-24-6-4-5-9-32(24)43-23-42/h33-36,38-41,44-45H,5-32,37H2,1-4H3,(H,59,61,62);2-27H,28-29H2,1H3,(H,64,67,68);2-24H,1H3,(H,56,58,59);1-21H,22-23H2.

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;5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]isoindole-1,3-dione;3-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]-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;5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]isoindole-1,3-dione;3-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]-2,4-dihydro-1,3-benzoxazine has a molecular weight of 3395.41 g/mol, XLogP of 49.36, 56 rotatable bonds, 3 hydrogen bond donors, and 22 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;5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]isoindole-1,3-dione;3-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenoxyphenyl)propan-2-yl]phenoxy]phenyl]-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 165015135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).