(4-aminophenyl) 2-[4-[2-[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(4-aminophenyl) 2-[4-[[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(4-aminophenyl) 2-[4-[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[2-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate

C258H156F18N30O48 — CID 159247494

IUPAC(4-aminophenyl) 2-[4-[2-[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(4-aminophenyl) 2-[4-[[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(4-aminophenyl) 2-[4-[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[2-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate
SMILESCc1cc(N2C(=O)c3ccc(C(=O)Oc4ccc(N)cc4)cc3C2=O)ccc1-c1ccc(N2C(=O)c3ccc(C(=O)Oc4ccc(N)cc4)cc3C2=O)cc1C(F)(F)F.Cc1cc(N2C(=O)c3ccc(C(=O)Oc4ccc(N)cn4)cc3C2=O)ccc1-c1ccc(N2C(=O)c3ccc(C(=O)Oc4ccc(N)cn4)cc3C2=O)cc1C(F)(F)F.Nc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(c4ccc(N5C(=O)c6ccc(C(=O)Oc7ccc(N)cc7)cc6C5=O)cc4)(C(F)(F)F)C(F)(F)F)cc2)C3=O)cc1.Nc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(c4ccc(N5C(=O)c6ccc(C(=O)Oc7ccc(N)cn7)cc6C5=O)cc4)(C(F)(F)F)C(F)(F)F)cc2)C3=O)nc1.Nc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cc4ccc(N5C(=O)c6ccc(C(=O)Oc7ccc(N)cc7)cc6C5=O)cc4)cc2)C3=O)cc1.Nc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cc4ccc(N5C(=O)c6ccc(C(=O)Oc7ccc(N)cn7)cc6C5=O)cc4)cc2)C3=O)nc1
InChIInChI=1S/C45H26F6N4O8.C44H27F3N4O8.C43H24F6N6O8.C43H28N4O8.C42H25F3N6O8.C41H26N6O8/c46-44(47,48)43(45(49,50)51,25-3-11-29(12-4-25)54-37(56)33-19-1-23(21-35(33)39(54)58)41(60)62-31-15-7-27(52)8-16-31)26-5-13-30(14-6-26)55-38(57)34-20-2-24(22-36(34)40(55)59)42(61)63-32-17-9-28(53)10-18-32;1-22-18-27(50-38(52)33-14-2-23(19-35(33)40(50)54)42(56)58-29-10-4-25(48)5-11-29)8-16-31(22)32-17-9-28(21-37(32)44(45,46)47)51-39(53)34-15-3-24(20-36(34)41(51)55)43(57)59-30-12-6-26(49)7-13-30;44-42(45,46)41(43(47,48)49,23-3-9-27(10-4-23)54-35(56)29-13-1-21(17-31(29)37(54)58)39(60)62-33-15-7-25(50)19-52-33)24-5-11-28(12-6-24)55-36(57)30-14-2-22(18-32(30)38(55)59)40(61)63-34-16-8-26(51)20-53-34;44-28-7-15-32(16-8-28)54-42(52)26-5-19-34-36(22-26)40(50)46(38(34)48)30-11-1-24(2-12-30)21-25-3-13-31(14-4-25)47-39(49)35-20-6-27(23-37(35)41(47)51)43(53)55-33-17-9-29(45)10-18-33;1-20-14-25(50-36(52)29-8-2-21(15-31(29)38(50)54)40(56)58-34-12-4-23(46)18-48-34)6-10-27(20)28-11-7-26(17-33(28)42(43,44)45)51-37(53)30-9-3-22(16-32(30)39(51)55)41(57)59-35-13-5-24(47)19-49-35;42-26-7-15-34(44-20-26)54-40(52)24-5-13-30-32(18-24)38(50)46(36(30)48)28-9-1-22(2-10-28)17-23-3-11-29(12-4-23)47-37(49)31-14-6-25(19-33(31)39(47)51)41(53)55-35-16-8-27(43)21-45-35/h1-22H,52-53H2;2-21H,48-49H2,1H3;1-20H,50-51H2;1-20,22-23H,21,44-45H2;2-19H,46-47H2,1H3;1-16,18-21H,17,42-43H2
InChIKeyKUWDOLKLCDHLFX-UHFFFAOYSA-N
MW4786.21 g/mol
LogP41.71
Rot. Bonds46

About (4-aminophenyl) 2-[4-[2-[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(4-aminophenyl) 2-[4-[[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(4-aminophenyl) 2-[4-[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[2-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate

(4-aminophenyl) 2-[4-[2-[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(4-aminophenyl) 2-[4-[[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(4-aminophenyl) 2-[4-[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[2-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate (PubChem CID 159247494) has the molecular formula C258H156F18N30O48 and a molecular weight of 4786.21 g/mol. Its IUPAC name is (4-aminophenyl) 2-[4-[2-[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(4-aminophenyl) 2-[4-[[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(4-aminophenyl) 2-[4-[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[2-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate.

Molecular Properties

Compound Name(4-aminophenyl) 2-[4-[2-[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(4-aminophenyl) 2-[4-[[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(4-aminophenyl) 2-[4-[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[2-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate
PubChem CID159247494
Molecular FormulaC258H156F18N30O48
Molecular Weight4786.21 g/mol
Exact Mass4783.04
IUPAC Name(4-aminophenyl) 2-[4-[2-[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(4-aminophenyl) 2-[4-[[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(4-aminophenyl) 2-[4-[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[2-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate
SMILESCc1cc(N2C(=O)c3ccc(C(=O)Oc4ccc(N)cc4)cc3C2=O)ccc1-c1ccc(N2C(=O)c3ccc(C(=O)Oc4ccc(N)cc4)cc3C2=O)cc1C(F)(F)F.Cc1cc(N2C(=O)c3ccc(C(=O)Oc4ccc(N)cn4)cc3C2=O)ccc1-c1ccc(N2C(=O)c3ccc(C(=O)Oc4ccc(N)cn4)cc3C2=O)cc1C(F)(F)F.Nc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(c4ccc(N5C(=O)c6ccc(C(=O)Oc7ccc(N)cc7)cc6C5=O)cc4)(C(F)(F)F)C(F)(F)F)cc2)C3=O)cc1.Nc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(c4ccc(N5C(=O)c6ccc(C(=O)Oc7ccc(N)cn7)cc6C5=O)cc4)(C(F)(F)F)C(F)(F)F)cc2)C3=O)nc1.Nc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cc4ccc(N5C(=O)c6ccc(C(=O)Oc7ccc(N)cc7)cc6C5=O)cc4)cc2)C3=O)cc1.Nc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cc4ccc(N5C(=O)c6ccc(C(=O)Oc7ccc(N)cn7)cc6C5=O)cc4)cc2)C3=O)nc1
InChIInChI=1S/C45H26F6N4O8.C44H27F3N4O8.C43H24F6N6O8.C43H28N4O8.C42H25F3N6O8.C41H26N6O8/c46-44(47,48)43(45(49,50)51,25-3-11-29(12-4-25)54-37(56)33-19-1-23(21-35(33)39(54)58)41(60)62-31-15-7-27(52)8-16-31)26-5-13-30(14-6-26)55-38(57)34-20-2-24(22-36(34)40(55)59)42(61)63-32-17-9-28(53)10-18-32;1-22-18-27(50-38(52)33-14-2-23(19-35(33)40(50)54)42(56)58-29-10-4-25(48)5-11-29)8-16-31(22)32-17-9-28(21-37(32)44(45,46)47)51-39(53)34-15-3-24(20-36(34)41(51)55)43(57)59-30-12-6-26(49)7-13-30;44-42(45,46)41(43(47,48)49,23-3-9-27(10-4-23)54-35(56)29-13-1-21(17-31(29)37(54)58)39(60)62-33-15-7-25(50)19-52-33)24-5-11-28(12-6-24)55-36(57)30-14-2-22(18-32(30)38(55)59)40(61)63-34-16-8-26(51)20-53-34;44-28-7-15-32(16-8-28)54-42(52)26-5-19-34-36(22-26)40(50)46(38(34)48)30-11-1-24(2-12-30)21-25-3-13-31(14-4-25)47-39(49)35-20-6-27(23-37(35)41(47)51)43(53)55-33-17-9-29(45)10-18-33;1-20-14-25(50-36(52)29-8-2-21(15-31(29)38(50)54)40(56)58-34-12-4-23(46)18-48-34)6-10-27(20)28-11-7-26(17-33(28)42(43,44)45)51-37(53)30-9-3-22(16-32(30)39(51)55)41(57)59-35-13-5-24(47)19-49-35;42-26-7-15-34(44-20-26)54-40(52)24-5-13-30-32(18-24)38(50)46(36(30)48)28-9-1-22(2-10-28)17-23-3-11-29(12-4-23)47-37(49)31-14-6-25(19-33(31)39(47)51)41(53)55-35-16-8-27(43)21-45-35/h1-22H,52-53H2;2-21H,48-49H2,1H3;1-20H,50-51H2;1-20,22-23H,21,44-45H2;2-19H,46-47H2,1H3;1-16,18-21H,17,42-43H2
InChIKeyKUWDOLKLCDHLFX-UHFFFAOYSA-N
XLogP41.71
TPSA1153.74 Ų
H-Bond Donors12
H-Bond Acceptors66
Rotatable Bonds46
Heavy Atoms354
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004786.21
LogP ≤ 541.71
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1066

Analyze (4-aminophenyl) 2-[4-[2-[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(4-aminophenyl) 2-[4-[[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(4-aminophenyl) 2-[4-[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[2-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl) 2-[4-[2-[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(4-aminophenyl) 2-[4-[[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(4-aminophenyl) 2-[4-[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[2-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate?
The IUPAC name of (4-aminophenyl) 2-[4-[2-[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(4-aminophenyl) 2-[4-[[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(4-aminophenyl) 2-[4-[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[2-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate (CID 159247494) is (4-aminophenyl) 2-[4-[2-[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(4-aminophenyl) 2-[4-[[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(4-aminophenyl) 2-[4-[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[2-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate.
What is the SMILES notation for (4-aminophenyl) 2-[4-[2-[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(4-aminophenyl) 2-[4-[[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(4-aminophenyl) 2-[4-[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[2-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate?
The canonical SMILES for (4-aminophenyl) 2-[4-[2-[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(4-aminophenyl) 2-[4-[[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(4-aminophenyl) 2-[4-[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[2-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate is Cc1cc(N2C(=O)c3ccc(C(=O)Oc4ccc(N)cc4)cc3C2=O)ccc1-c1ccc(N2C(=O)c3ccc(C(=O)Oc4ccc(N)cc4)cc3C2=O)cc1C(F)(F)F.Cc1cc(N2C(=O)c3ccc(C(=O)Oc4ccc(N)cn4)cc3C2=O)ccc1-c1ccc(N2C(=O)c3ccc(C(=O)Oc4ccc(N)cn4)cc3C2=O)cc1C(F)(F)F.Nc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(c4ccc(N5C(=O)c6ccc(C(=O)Oc7ccc(N)cc7)cc6C5=O)cc4)(C(F)(F)F)C(F)(F)F)cc2)C3=O)cc1.Nc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(C(c4ccc(N5C(=O)c6ccc(C(=O)Oc7ccc(N)cn7)cc6C5=O)cc4)(C(F)(F)F)C(F)(F)F)cc2)C3=O)nc1.Nc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cc4ccc(N5C(=O)c6ccc(C(=O)Oc7ccc(N)cc7)cc6C5=O)cc4)cc2)C3=O)cc1.Nc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccc(Cc4ccc(N5C(=O)c6ccc(C(=O)Oc7ccc(N)cn7)cc6C5=O)cc4)cc2)C3=O)nc1.
What is the InChIKey of (4-aminophenyl) 2-[4-[2-[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(4-aminophenyl) 2-[4-[[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(4-aminophenyl) 2-[4-[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[2-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate?
The InChIKey is KUWDOLKLCDHLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26F6N4O8.C44H27F3N4O8.C43H24F6N6O8.C43H28N4O8.C42H25F3N6O8.C41H26N6O8/c46-44(47,48)43(45(49,50)51,25-3-11-29(12-4-25)54-37(56)33-19-1-23(21-35(33)39(54)58)41(60)62-31-15-7-27(52)8-16-31)26-5-13-30(14-6-26)55-38(57)34-20-2-24(22-36(34)40(55)59)42(61)63-32-17-9-28(53)10-18-32;1-22-18-27(50-38(52)33-14-2-23(19-35(33)40(50)54)42(56)58-29-10-4-25(48)5-11-29)8-16-31(22)32-17-9-28(21-37(32)44(45,46)47)51-39(53)34-15-3-24(20-36(34)41(51)55)43(57)59-30-12-6-26(49)7-13-30;44-42(45,46)41(43(47,48)49,23-3-9-27(10-4-23)54-35(56)29-13-1-21(17-31(29)37(54)58)39(60)62-33-15-7-25(50)19-52-33)24-5-11-28(12-6-24)55-36(57)30-14-2-22(18-32(30)38(55)59)40(61)63-34-16-8-26(51)20-53-34;44-28-7-15-32(16-8-28)54-42(52)26-5-19-34-36(22-26)40(50)46(38(34)48)30-11-1-24(2-12-30)21-25-3-13-31(14-4-25)47-39(49)35-20-6-27(23-37(35)41(47)51)43(53)55-33-17-9-29(45)10-18-33;1-20-14-25(50-36(52)29-8-2-21(15-31(29)38(50)54)40(56)58-34-12-4-23(46)18-48-34)6-10-27(20)28-11-7-26(17-33(28)42(43,44)45)51-37(53)30-9-3-22(16-32(30)39(51)55)41(57)59-35-13-5-24(47)19-49-35;42-26-7-15-34(44-20-26)54-40(52)24-5-13-30-32(18-24)38(50)46(36(30)48)28-9-1-22(2-10-28)17-23-3-11-29(12-4-23)47-37(49)31-14-6-25(19-33(31)39(47)51)41(53)55-35-16-8-27(43)21-45-35/h1-22H,52-53H2;2-21H,48-49H2,1H3;1-20H,50-51H2;1-20,22-23H,21,44-45H2;2-19H,46-47H2,1H3;1-16,18-21H,17,42-43H2.
What are the key properties of (4-aminophenyl) 2-[4-[2-[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(4-aminophenyl) 2-[4-[[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(4-aminophenyl) 2-[4-[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[2-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate?
(4-aminophenyl) 2-[4-[2-[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(4-aminophenyl) 2-[4-[[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(4-aminophenyl) 2-[4-[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[2-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate has a molecular weight of 4786.21 g/mol, XLogP of 41.71, 46 rotatable bonds, 12 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl) 2-[4-[2-[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(4-aminophenyl) 2-[4-[[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(4-aminophenyl) 2-[4-[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[2-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]phenyl]methyl]phenyl]-1,3-dioxoisoindole-5-carboxylate;(5-amino-2-pyridinyl) 2-[4-[4-[5-[(5-amino-2-pyridinyl)oxycarbonyl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-methylphenyl]-1,3-dioxoisoindole-5-carboxylate is sourced from PubChem (CID 159247494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).