3-amino-N-[5-[2-[3-[(3-aminobenzoyl)amino]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzamide;2-amino-4-[2-(3-amino-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;3-[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]propan-1-amine;4-(4-carboxyphenoxy)benzoic acid;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;methanol

C85H82F12N8O20Si2 — CID 170852643

About 3-amino-N-[5-[2-[3-[(3-aminobenzoyl)amino]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzamide;2-amino-4-[2-(3-amino-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;3-[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]propan-1-amine;4-(4-carboxyphenoxy)benzoic acid;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;methanol

3-amino-N-[5-[2-[3-[(3-aminobenzoyl)amino]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzamide;2-amino-4-[2-(3-amino-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;3-[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]propan-1-amine;4-(4-carboxyphenoxy)benzoic acid;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;methanol (PubChem CID 170852643) has the molecular formula C85H82F12N8O20Si2 and a molecular weight of 1819.77 g/mol. Its IUPAC name is 3-amino-N-[5-[2-[3-[(3-aminobenzoyl)amino]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzamide;2-amino-4-[2-(3-amino-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;3-[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]propan-1-amine;4-(4-carboxyphenoxy)benzoic acid;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;methanol.

Molecular Properties

• Compound Name: 3-amino-N-[5-[2-[3-[(3-aminobenzoyl)amino]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzamide;2-amino-4-[2-(3-amino-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;3-[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]propan-1-amine;4-(4-carboxyphenoxy)benzoic acid;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;methanol
• PubChem CID: 170852643
• Molecular Formula: C85H82F12N8O20Si2
• Molecular Weight: 1819.77 g/mol
• Exact Mass: 1818.50
• IUPAC Name: 3-amino-N-[5-[2-[3-[(3-aminobenzoyl)amino]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzamide;2-amino-4-[2-(3-amino-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;3-[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]propan-1-amine;4-(4-carboxyphenoxy)benzoic acid;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;methanol
• SMILES: CO.C[Si](C)(CCCN)O[Si](C)(C)CCCN.Nc1cc(C(c2ccc(O)c(N)c2)(C(F)(F)F)C(F)(F)F)ccc1O.Nc1cccc(C(=O)Nc2cc(C(c3ccc(O)c(NC(=O)c4cccc(N)c4)c3)(C(F)(F)F)C(F)(F)F)ccc2O)c1.O=C(O)c1ccc(Oc2ccc(C(=O)O)cc2)cc1.O=C1OC(=O)c2cc(Oc3ccc4c(c3)C(=O)OC4=O)ccc21
• InChI: InChI=1S/C29H22F6N4O4.C16H6O7.C15H12F6N2O2.C14H10O5.C10H28N2OSi2.CH4O/c30-28(31,32)27(29(33,34)35,17-7-9-23(40)21(13-17)38-25(42)15-3-1-5-19(36)11-15)18-8-10-24(41)22(14-18)39-26(43)16-4-2-6-20(37)12-16;17-13-9-3-1-7(5-11(9)15(19)22-13)21-8-2-4-10-12(6-8)16(20)23-14(10)18;16-14(17,18)13(15(19,20)21,7-1-3-11(24)9(22)5-7)8-2-4-12(25)10(23)6-8;15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18;1-14(2,9-5-7-11)13-15(3,4)10-6-8-12;1-2/h1-14,40-41H,36-37H2,(H,38,42)(H,39,43);1-6H;1-6,24-25H,22-23H2;1-8H,(H,15,16)(H,17,18);5-12H2,1-4H3;2H,1H3
• InChIKey: IXTNFCDTKFPSHK-UHFFFAOYSA-N
• XLogP: 16.55
• TPSA: 504.50 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 24
• Rotatable Bonds: 22
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1819.77
LogP ≤ 5	16.55
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-[2-[3-[(3-aminobenzoyl)amino]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzamide;2-amino-4-[2-(3-amino-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;3-[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]propan-1-amine;4-(4-carboxyphenoxy)benzoic acid;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;methanol?

The IUPAC name of 3-amino-N-[5-[2-[3-[(3-aminobenzoyl)amino]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzamide;2-amino-4-[2-(3-amino-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;3-[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]propan-1-amine;4-(4-carboxyphenoxy)benzoic acid;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;methanol (CID 170852643) is 3-amino-N-[5-[2-[3-[(3-aminobenzoyl)amino]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzamide;2-amino-4-[2-(3-amino-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;3-[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]propan-1-amine;4-(4-carboxyphenoxy)benzoic acid;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;methanol.

What is the SMILES notation for 3-amino-N-[5-[2-[3-[(3-aminobenzoyl)amino]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzamide;2-amino-4-[2-(3-amino-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;3-[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]propan-1-amine;4-(4-carboxyphenoxy)benzoic acid;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;methanol?

The canonical SMILES for 3-amino-N-[5-[2-[3-[(3-aminobenzoyl)amino]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzamide;2-amino-4-[2-(3-amino-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;3-[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]propan-1-amine;4-(4-carboxyphenoxy)benzoic acid;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;methanol is CO.C[Si](C)(CCCN)O[Si](C)(C)CCCN.Nc1cc(C(c2ccc(O)c(N)c2)(C(F)(F)F)C(F)(F)F)ccc1O.Nc1cccc(C(=O)Nc2cc(C(c3ccc(O)c(NC(=O)c4cccc(N)c4)c3)(C(F)(F)F)C(F)(F)F)ccc2O)c1.O=C(O)c1ccc(Oc2ccc(C(=O)O)cc2)cc1.O=C1OC(=O)c2cc(Oc3ccc4c(c3)C(=O)OC4=O)ccc21.

What is the InChIKey of 3-amino-N-[5-[2-[3-[(3-aminobenzoyl)amino]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzamide;2-amino-4-[2-(3-amino-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;3-[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]propan-1-amine;4-(4-carboxyphenoxy)benzoic acid;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;methanol?

The InChIKey is IXTNFCDTKFPSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F6N4O4.C16H6O7.C15H12F6N2O2.C14H10O5.C10H28N2OSi2.CH4O/c30-28(31,32)27(29(33,34)35,17-7-9-23(40)21(13-17)38-25(42)15-3-1-5-19(36)11-15)18-8-10-24(41)22(14-18)39-26(43)16-4-2-6-20(37)12-16;17-13-9-3-1-7(5-11(9)15(19)22-13)21-8-2-4-10-12(6-8)16(20)23-14(10)18;16-14(17,18)13(15(19,20)21,7-1-3-11(24)9(22)5-7)8-2-4-12(25)10(23)6-8;15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18;1-14(2,9-5-7-11)13-15(3,4)10-6-8-12;1-2/h1-14,40-41H,36-37H2,(H,38,42)(H,39,43);1-6H;1-6,24-25H,22-23H2;1-8H,(H,15,16)(H,17,18);5-12H2,1-4H3;2H,1H3.

What are the key properties of 3-amino-N-[5-[2-[3-[(3-aminobenzoyl)amino]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzamide;2-amino-4-[2-(3-amino-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;3-[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]propan-1-amine;4-(4-carboxyphenoxy)benzoic acid;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;methanol?

3-amino-N-[5-[2-[3-[(3-aminobenzoyl)amino]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzamide;2-amino-4-[2-(3-amino-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;3-[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]propan-1-amine;4-(4-carboxyphenoxy)benzoic acid;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;methanol has a molecular weight of 1819.77 g/mol, XLogP of 16.55, 22 rotatable bonds, 15 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[5-[2-[3-[(3-aminobenzoyl)amino]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzamide;2-amino-4-[2-(3-amino-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol;3-[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]propan-1-amine;4-(4-carboxyphenoxy)benzoic acid;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione;methanol is sourced from PubChem (CID 170852643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).