bis(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);bis(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);bis(3-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-2,4-dihydro-1,3-benzoxazine)

C288H280F36N12O28 — CID 165089434

IUPACbis(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);bis(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);bis(3-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-2,4-dihydro-1,3-benzoxazine)
SMILESCC(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(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.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.CCCCCCCCC1C(CCCCCC)CCC(CCCCCCCCN2COc3ccccc3C2)C1CCCCCCCC
InChIInChI=1S/2C54H34F9N3O7.2C46H27F9N2O6.2C44H79NO/c2*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;2*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;2*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*2-27H,28-29H2,1H3,(H,64,67,68);2*2-24H,1H3,(H,56,58,59);2*25-26,30,33,39-40,42-43H,4-24,27-29,31-32,34-38H2,1-3H3
InChIKeyWLLHYQOZVURGRY-UHFFFAOYSA-N
MW5041.39 g/mol
LogP76.25
Rot. Bonds94

About bis(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);bis(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);bis(3-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-2,4-dihydro-1,3-benzoxazine)

bis(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);bis(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);bis(3-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-2,4-dihydro-1,3-benzoxazine) (PubChem CID 165089434) has the molecular formula C288H280F36N12O28 and a molecular weight of 5041.39 g/mol. Its IUPAC name is bis(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);bis(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);bis(3-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-2,4-dihydro-1,3-benzoxazine).

Molecular Properties

Compound Namebis(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);bis(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);bis(3-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-2,4-dihydro-1,3-benzoxazine)
PubChem CID165089434
Molecular FormulaC288H280F36N12O28
Molecular Weight5041.39 g/mol
Exact Mass5038.03
IUPAC Namebis(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);bis(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);bis(3-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-2,4-dihydro-1,3-benzoxazine)
SMILESCC(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(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.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.CCCCCCCCC1C(CCCCCC)CCC(CCCCCCCCN2COc3ccccc3C2)C1CCCCCCCC
InChIInChI=1S/2C54H34F9N3O7.2C46H27F9N2O6.2C44H79NO/c2*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;2*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;2*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*2-27H,28-29H2,1H3,(H,64,67,68);2*2-24H,1H3,(H,56,58,59);2*25-26,30,33,39-40,42-43H,4-24,27-29,31-32,34-38H2,1-3H3
InChIKeyWLLHYQOZVURGRY-UHFFFAOYSA-N
XLogP76.25
TPSA457.92 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds94
Heavy Atoms364
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005041.39
LogP ≤ 576.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Analyze bis(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);bis(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);bis(3-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-2,4-dihydro-1,3-benzoxazine) with MolForge

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Related Compounds

5-[1,1,1,3,3,3-Hexafluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione
CID 20727118
5-[1,1,1,3,3,3-Hexafluoro-2-[2-[4-[4-(8-methyl-1,3,7,9-tetrahydro-[1,3]benzoxazino[8,7-h][1,3]benzoxazin-2-yl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-[4-(4-methylphenoxy)phenyl]isoindole-1,3-dione
CID 57620585
5-[1,1,1,3,3,3-Hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;2-methyl-5-[[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]methyl]isoindole-1,3-dione
CID 90770337
5-[2-[2-[3-[[[[Butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione
CID 91026973
2-[4-[4-[2-[4-[2-Cyclohexyl-4-[2-[3-cyclohexyl-4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]propan-2-yl]phenoxy]-3-methylphenyl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]phenoxy]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 117982158
5-[2-[2-[4-[2-Cyclohexyl-4-[2-[3-cyclohexyl-4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione
CID 117982162
4-[1,3-Dioxo-2-(2-phenylphenyl)isoindol-5-yl]-2-[4-[4-[2-[4-[4-[5-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione
CID 129198979
4-[1,3-Dioxo-2-(2-phenylphenyl)isoindol-5-yl]-2-[4-[4-[2-[4-[4-[4-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]isoindole-1,3-dione
CID 129198992
4-[2-[4-[4-[2-[4-[4-[5-[1,3-Dioxo-2-(2-phenylphenyl)isoindol-4-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 129198994
2-[4-[4-[1,3-Dioxo-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenoxy]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 134450542
2-[4-[4-[5-[2-(1,3-Dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-5-[2-[2-[4-[4-[5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione
CID 156126204
5-(2-Butyl-1,3-dioxoisoindol-5-yl)-2-methylisoindole-1,3-dione;5-[2-(2-butyl-1,3-dioxoisoindol-5-yl)-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;2-butyl-6-methyl-4,8-bis(trifluoromethyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;methane
CID 157566731

Frequently Asked Questions

What is the IUPAC name of bis(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);bis(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);bis(3-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-2,4-dihydro-1,3-benzoxazine)?
The IUPAC name of bis(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);bis(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);bis(3-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-2,4-dihydro-1,3-benzoxazine) (CID 165089434) is bis(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);bis(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);bis(3-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-2,4-dihydro-1,3-benzoxazine).
What is the SMILES notation for bis(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);bis(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);bis(3-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-2,4-dihydro-1,3-benzoxazine)?
The canonical SMILES for bis(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);bis(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);bis(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(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.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.CCCCCCCCC1C(CCCCCC)CCC(CCCCCCCCN2COc3ccccc3C2)C1CCCCCCCC.
What is the InChIKey of bis(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);bis(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);bis(3-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-2,4-dihydro-1,3-benzoxazine)?
The InChIKey is WLLHYQOZVURGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H34F9N3O7.2C46H27F9N2O6.2C44H79NO/c2*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;2*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;2*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*2-27H,28-29H2,1H3,(H,64,67,68);2*2-24H,1H3,(H,56,58,59);2*25-26,30,33,39-40,42-43H,4-24,27-29,31-32,34-38H2,1-3H3.
What are the key properties of bis(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);bis(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);bis(3-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-2,4-dihydro-1,3-benzoxazine)?
bis(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);bis(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);bis(3-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-2,4-dihydro-1,3-benzoxazine) has a molecular weight of 5041.39 g/mol, XLogP of 76.25, 94 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for bis(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);bis(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);bis(3-[8-(4-hexyl-2,3-dioctylcyclohexyl)octyl]-2,4-dihydro-1,3-benzoxazine) is sourced from PubChem (CID 165089434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).