2-(4-amino-2,3,5,6-tetramethylphenyl)-5-[2-[2-(4-amino-2,3,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;2,3,5,6-tetramethylbenzene-1,4-diamine

C68H56F12N6O10 — CID 158168509

About 2-(4-amino-2,3,5,6-tetramethylphenyl)-5-[2-[2-(4-amino-2,3,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;2,3,5,6-tetramethylbenzene-1,4-diamine

2-(4-amino-2,3,5,6-tetramethylphenyl)-5-[2-[2-(4-amino-2,3,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;2,3,5,6-tetramethylbenzene-1,4-diamine (PubChem CID 158168509) has the molecular formula C68H56F12N6O10 and a molecular weight of 1345.20 g/mol. Its IUPAC name is 2-(4-amino-2,3,5,6-tetramethylphenyl)-5-[2-[2-(4-amino-2,3,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;2,3,5,6-tetramethylbenzene-1,4-diamine.

Molecular Properties

• Compound Name: 2-(4-amino-2,3,5,6-tetramethylphenyl)-5-[2-[2-(4-amino-2,3,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;2,3,5,6-tetramethylbenzene-1,4-diamine
• PubChem CID: 158168509
• Molecular Formula: C68H56F12N6O10
• Molecular Weight: 1345.20 g/mol
• Exact Mass: 1344.39
• IUPAC Name: 2-(4-amino-2,3,5,6-tetramethylphenyl)-5-[2-[2-(4-amino-2,3,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;2,3,5,6-tetramethylbenzene-1,4-diamine
• SMILES: Cc1c(C)c(N)c(C)c(C)c1N.Cc1c(C)c(N2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N(c4c(C)c(C)c(N)c(C)c4C)C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)c(C)c(C)c1N.O=C1OC(=O)c2cc(C(c3ccc4c(c3)C(=O)OC4=O)(C(F)(F)F)C(F)(F)F)ccc21
• InChI: InChI=1S/C39H34F6N4O4.C19H6F6O6.C10H16N2/c1-15-19(5)31(20(6)16(2)29(15)46)48-33(50)25-11-9-23(13-27(25)35(48)52)37(38(40,41)42,39(43,44)45)24-10-12-26-28(14-24)36(53)49(34(26)51)32-21(7)17(3)30(47)18(4)22(32)8;20-18(21,22)17(19(23,24)25,7-1-3-9-11(5-7)15(28)30-13(9)26)8-2-4-10-12(6-8)16(29)31-14(10)27;1-5-6(2)10(12)8(4)7(3)9(5)11/h9-14H,46-47H2,1-8H3;1-6H;11-12H2,1-4H3
• InChIKey: FXDMJICGIZRENX-UHFFFAOYSA-N
• XLogP: 14.13
• TPSA: 265.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1345.20
LogP ≤ 5	14.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,3,5,6-tetramethylphenyl)-5-[2-[2-(4-amino-2,3,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;2,3,5,6-tetramethylbenzene-1,4-diamine?

The IUPAC name of 2-(4-amino-2,3,5,6-tetramethylphenyl)-5-[2-[2-(4-amino-2,3,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;2,3,5,6-tetramethylbenzene-1,4-diamine (CID 158168509) is 2-(4-amino-2,3,5,6-tetramethylphenyl)-5-[2-[2-(4-amino-2,3,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;2,3,5,6-tetramethylbenzene-1,4-diamine.

What is the SMILES notation for 2-(4-amino-2,3,5,6-tetramethylphenyl)-5-[2-[2-(4-amino-2,3,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;2,3,5,6-tetramethylbenzene-1,4-diamine?

The canonical SMILES for 2-(4-amino-2,3,5,6-tetramethylphenyl)-5-[2-[2-(4-amino-2,3,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;2,3,5,6-tetramethylbenzene-1,4-diamine is Cc1c(C)c(N)c(C)c(C)c1N.Cc1c(C)c(N2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N(c4c(C)c(C)c(N)c(C)c4C)C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)c(C)c(C)c1N.O=C1OC(=O)c2cc(C(c3ccc4c(c3)C(=O)OC4=O)(C(F)(F)F)C(F)(F)F)ccc21.

What is the InChIKey of 2-(4-amino-2,3,5,6-tetramethylphenyl)-5-[2-[2-(4-amino-2,3,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;2,3,5,6-tetramethylbenzene-1,4-diamine?

The InChIKey is FXDMJICGIZRENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34F6N4O4.C19H6F6O6.C10H16N2/c1-15-19(5)31(20(6)16(2)29(15)46)48-33(50)25-11-9-23(13-27(25)35(48)52)37(38(40,41)42,39(43,44)45)24-10-12-26-28(14-24)36(53)49(34(26)51)32-21(7)17(3)30(47)18(4)22(32)8;20-18(21,22)17(19(23,24)25,7-1-3-9-11(5-7)15(28)30-13(9)26)8-2-4-10-12(6-8)16(29)31-14(10)27;1-5-6(2)10(12)8(4)7(3)9(5)11/h9-14H,46-47H2,1-8H3;1-6H;11-12H2,1-4H3.

What are the key properties of 2-(4-amino-2,3,5,6-tetramethylphenyl)-5-[2-[2-(4-amino-2,3,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;2,3,5,6-tetramethylbenzene-1,4-diamine?

2-(4-amino-2,3,5,6-tetramethylphenyl)-5-[2-[2-(4-amino-2,3,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;2,3,5,6-tetramethylbenzene-1,4-diamine has a molecular weight of 1345.20 g/mol, XLogP of 14.13, 6 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-amino-2,3,5,6-tetramethylphenyl)-5-[2-[2-(4-amino-2,3,5,6-tetramethylphenyl)-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;2,3,5,6-tetramethylbenzene-1,4-diamine is sourced from PubChem (CID 158168509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).