2-[4-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenoxy]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C55H33F3N4O10 — CID 134450542

IUPAC2-[4-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenoxy]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1ccc(Oc2ccc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(-n8c(=O)c9cc%10c(=O)n(C)c(=O)c%10cc9c8=O)cc7)cc5)C6=O)C(F)(F)F)cc4C3=O)cc2)cc1
InChIInChI=1S/C55H33F3N4O10/c1-28-4-14-34(15-5-28)71-35-16-8-31(9-17-35)60-48(65)38-22-6-29(24-40(38)50(60)67)54(2,55(56,57)58)30-7-23-39-41(25-30)51(68)61(49(39)66)32-10-18-36(19-11-32)72-37-20-12-33(13-21-37)62-52(69)44-26-42-43(27-45(44)53(62)70)47(64)59(3)46(42)63/h4-27H,1-3H3
InChIKeyUSRDZPFQGRKTSY-UHFFFAOYSA-N
MW966.88 g/mol
LogP8.80
Rot. Bonds9

About 2-[4-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenoxy]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

2-[4-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenoxy]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 134450542) has the molecular formula C55H33F3N4O10 and a molecular weight of 966.88 g/mol. Its IUPAC name is 2-[4-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenoxy]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name2-[4-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenoxy]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID134450542
Molecular FormulaC55H33F3N4O10
Molecular Weight966.88 g/mol
Exact Mass966.21
IUPAC Name2-[4-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenoxy]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1ccc(Oc2ccc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(-n8c(=O)c9cc%10c(=O)n(C)c(=O)c%10cc9c8=O)cc7)cc5)C6=O)C(F)(F)F)cc4C3=O)cc2)cc1
InChIInChI=1S/C55H33F3N4O10/c1-28-4-14-34(15-5-28)71-35-16-8-31(9-17-35)60-48(65)38-22-6-29(24-40(38)50(60)67)54(2,55(56,57)58)30-7-23-39-41(25-30)51(68)61(49(39)66)32-10-18-36(19-11-32)72-37-20-12-33(13-21-37)62-52(69)44-26-42-43(27-45(44)53(62)70)47(64)59(3)46(42)63/h4-27H,1-3H3
InChIKeyUSRDZPFQGRKTSY-UHFFFAOYSA-N
XLogP8.80
TPSA171.36 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500966.88
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-[4-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenoxy]phenyl]-6-methylpyrrolo[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-[4-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenoxy]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 2-[4-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenoxy]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 134450542) is 2-[4-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenoxy]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 2-[4-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenoxy]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 2-[4-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenoxy]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is Cc1ccc(Oc2ccc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(c5ccc(Oc7ccc(-n8c(=O)c9cc%10c(=O)n(C)c(=O)c%10cc9c8=O)cc7)cc5)C6=O)C(F)(F)F)cc4C3=O)cc2)cc1.
What is the InChIKey of 2-[4-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenoxy]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is USRDZPFQGRKTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33F3N4O10/c1-28-4-14-34(15-5-28)71-35-16-8-31(9-17-35)60-48(65)38-22-6-29(24-40(38)50(60)67)54(2,55(56,57)58)30-7-23-39-41(25-30)51(68)61(49(39)66)32-10-18-36(19-11-32)72-37-20-12-33(13-21-37)62-52(69)44-26-42-43(27-45(44)53(62)70)47(64)59(3)46(42)63/h4-27H,1-3H3.
What are the key properties of 2-[4-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenoxy]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
2-[4-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenoxy]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 966.88 g/mol, XLogP of 8.80, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[1,3-dioxo-5-[1,1,1-trifluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindol-2-yl]phenoxy]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 134450542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).