butane;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione;methane;tetrakis(2-methyl-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione)

C184H185F15N8O22 — CID 159739282

IUPACbutane;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione;methane;tetrakis(2-methyl-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione)
SMILESC.CC(c1ccc2c(c1)C(=O)OC2=O)(c1ccc2c(c1)C(=O)OC2=O)C(F)(F)F.CCCC.CCCC.CCCC.CCCC.CCCC.CCCC.CCCC.CCCC.Cc1ccc(-c2ccc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)cc2)cc1.Cc1ccc(-c2ccc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)cc2)cc1.Cc1ccc(-c2ccc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)cc2)cc1.Cc1ccc(-c2ccc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)cc2)cc1
InChIInChI=1S/4C33H23F3N2O4.C19H9F3O6.8C4H10.CH4/c4*1-18-4-6-19(7-5-18)20-8-12-23(13-9-20)38-30(41)25-15-11-22(17-27(25)31(38)42)32(2,33(34,35)36)21-10-14-24-26(16-21)29(40)37(3)28(24)39;1-18(19(20,21)22,8-2-4-10-12(6-8)16(25)27-14(10)23)9-3-5-11-13(7-9)17(26)28-15(11)24;8*1-3-4-2;/h4*4-17H,1-3H3;2-7H,1H3;8*3-4H2,1-2H3;1H4
InChIKeyNCFVNKWZWPQPIO-UHFFFAOYSA-N
MW3145.51 g/mol
LogP44.49
Rot. Bonds26

About butane;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione;methane;tetrakis(2-methyl-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione)

butane;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione;methane;tetrakis(2-methyl-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione) (PubChem CID 159739282) has the molecular formula C184H185F15N8O22 and a molecular weight of 3145.51 g/mol. Its IUPAC name is butane;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione;methane;tetrakis(2-methyl-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione).

Molecular Properties

Compound Namebutane;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione;methane;tetrakis(2-methyl-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione)
PubChem CID159739282
Molecular FormulaC184H185F15N8O22
Molecular Weight3145.51 g/mol
Exact Mass3143.34
IUPAC Namebutane;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione;methane;tetrakis(2-methyl-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione)
SMILESC.CC(c1ccc2c(c1)C(=O)OC2=O)(c1ccc2c(c1)C(=O)OC2=O)C(F)(F)F.CCCC.CCCC.CCCC.CCCC.CCCC.CCCC.CCCC.CCCC.Cc1ccc(-c2ccc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)cc2)cc1.Cc1ccc(-c2ccc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)cc2)cc1.Cc1ccc(-c2ccc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)cc2)cc1.Cc1ccc(-c2ccc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)cc2)cc1
InChIInChI=1S/4C33H23F3N2O4.C19H9F3O6.8C4H10.CH4/c4*1-18-4-6-19(7-5-18)20-8-12-23(13-9-20)38-30(41)25-15-11-22(17-27(25)31(38)42)32(2,33(34,35)36)21-10-14-24-26(16-21)29(40)37(3)28(24)39;1-18(19(20,21)22,8-2-4-10-12(6-8)16(25)27-14(10)23)9-3-5-11-13(7-9)17(26)28-15(11)24;8*1-3-4-2;/h4*4-17H,1-3H3;2-7H,1H3;8*3-4H2,1-2H3;1H4
InChIKeyNCFVNKWZWPQPIO-UHFFFAOYSA-N
XLogP44.49
TPSA385.78 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds26
Heavy Atoms229
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003145.51
LogP ≤ 544.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze butane;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione;methane;tetrakis(2-methyl-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione) with MolForge

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Frequently Asked Questions

What is the IUPAC name of butane;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione;methane;tetrakis(2-methyl-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione)?
The IUPAC name of butane;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione;methane;tetrakis(2-methyl-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione) (CID 159739282) is butane;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione;methane;tetrakis(2-methyl-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione).
What is the SMILES notation for butane;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione;methane;tetrakis(2-methyl-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione)?
The canonical SMILES for butane;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione;methane;tetrakis(2-methyl-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione) is C.CC(c1ccc2c(c1)C(=O)OC2=O)(c1ccc2c(c1)C(=O)OC2=O)C(F)(F)F.CCCC.CCCC.CCCC.CCCC.CCCC.CCCC.CCCC.CCCC.Cc1ccc(-c2ccc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)cc2)cc1.Cc1ccc(-c2ccc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)cc2)cc1.Cc1ccc(-c2ccc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)cc2)cc1.Cc1ccc(-c2ccc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)cc2)cc1.
What is the InChIKey of butane;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione;methane;tetrakis(2-methyl-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione)?
The InChIKey is NCFVNKWZWPQPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/4C33H23F3N2O4.C19H9F3O6.8C4H10.CH4/c4*1-18-4-6-19(7-5-18)20-8-12-23(13-9-20)38-30(41)25-15-11-22(17-27(25)31(38)42)32(2,33(34,35)36)21-10-14-24-26(16-21)29(40)37(3)28(24)39;1-18(19(20,21)22,8-2-4-10-12(6-8)16(25)27-14(10)23)9-3-5-11-13(7-9)17(26)28-15(11)24;8*1-3-4-2;/h4*4-17H,1-3H3;2-7H,1H3;8*3-4H2,1-2H3;1H4.
What are the key properties of butane;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione;methane;tetrakis(2-methyl-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione)?
butane;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione;methane;tetrakis(2-methyl-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione) has a molecular weight of 3145.51 g/mol, XLogP of 44.49, 26 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for butane;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione;methane;tetrakis(2-methyl-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione) is sourced from PubChem (CID 159739282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).