2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-6-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C55H33F3N4O11 — CID 58193377

IUPAC2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-6-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1cc(C(C)(c2ccc(O)c(-n3c(=O)c4cc5c(=O)n(-c6ccc(Oc7ccc(N8C(=O)c9ccc(-c%10ccc%11c(c%10)C(=O)N(C)C%11=O)cc9C8=O)cc7)cc6)c(=O)c5cc4c3=O)c2)C(F)(F)F)ccc1O
InChIInChI=1S/C55H33F3N4O11/c1-26-20-29(6-18-44(26)63)54(2,55(56,57)58)30-7-19-45(64)43(23-30)62-52(71)41-24-39-40(25-42(41)53(62)72)51(70)61(50(39)69)32-10-14-34(15-11-32)73-33-12-8-31(9-13-33)60-48(67)36-17-5-28(22-38(36)49(60)68)27-4-16-35-37(21-27)47(66)59(3)46(35)65/h4-25,63-64H,1-3H3
InChIKeyKARZIGYVGNIPKC-UHFFFAOYSA-N
MW982.88 g/mol
LogP7.96
Rot. Bonds8

About 2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-6-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-6-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 58193377) has the molecular formula C55H33F3N4O11 and a molecular weight of 982.88 g/mol. Its IUPAC name is 2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-6-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-6-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID58193377
Molecular FormulaC55H33F3N4O11
Molecular Weight982.88 g/mol
Exact Mass982.21
IUPAC Name2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-6-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1cc(C(C)(c2ccc(O)c(-n3c(=O)c4cc5c(=O)n(-c6ccc(Oc7ccc(N8C(=O)c9ccc(-c%10ccc%11c(c%10)C(=O)N(C)C%11=O)cc9C8=O)cc7)cc6)c(=O)c5cc4c3=O)c2)C(F)(F)F)ccc1O
InChIInChI=1S/C55H33F3N4O11/c1-26-20-29(6-18-44(26)63)54(2,55(56,57)58)30-7-19-45(64)43(23-30)62-52(71)41-24-39-40(25-42(41)53(62)72)51(70)61(50(39)69)32-10-14-34(15-11-32)73-33-12-8-31(9-13-33)60-48(67)36-17-5-28(22-38(36)49(60)68)27-4-16-35-37(21-27)47(66)59(3)46(35)65/h4-25,63-64H,1-3H3
InChIKeyKARZIGYVGNIPKC-UHFFFAOYSA-N
XLogP7.96
TPSA202.59 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500982.88
LogP ≤ 57.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-6-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-6-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-6-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 58193377) is 2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-6-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-6-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-6-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is Cc1cc(C(C)(c2ccc(O)c(-n3c(=O)c4cc5c(=O)n(-c6ccc(Oc7ccc(N8C(=O)c9ccc(-c%10ccc%11c(c%10)C(=O)N(C)C%11=O)cc9C8=O)cc7)cc6)c(=O)c5cc4c3=O)c2)C(F)(F)F)ccc1O.
What is the InChIKey of 2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-6-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is KARZIGYVGNIPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33F3N4O11/c1-26-20-29(6-18-44(26)63)54(2,55(56,57)58)30-7-19-45(64)43(23-30)62-52(71)41-24-39-40(25-42(41)53(62)72)51(70)61(50(39)69)32-10-14-34(15-11-32)73-33-12-8-31(9-13-33)60-48(67)36-17-5-28(22-38(36)49(60)68)27-4-16-35-37(21-27)47(66)59(3)46(35)65/h4-25,63-64H,1-3H3.
What are the key properties of 2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-6-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-6-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 982.88 g/mol, XLogP of 7.96, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-6-[4-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 58193377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).