5-[2-[4-[4-[5-[2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione

C63H38F6N4O10 — CID 118654582

IUPAC5-[2-[4-[4-[5-[2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione
SMILESCc1cc(C(C)(c2ccc(O)c(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(c5ccc(-c7ccc(N8C(=O)c9ccc(-c%10ccc%11c(c%10)C(=O)N(C)C%11=O)cc9C8=O)cc7C(F)(F)F)c(C)c5)C6=O)cc4C3=O)c2)C(F)(F)F)ccc1O
InChIInChI=1S/C63H38F6N4O10/c1-29-22-37(11-17-39(29)40-18-12-38(28-49(40)62(64,65)66)72-56(79)43-15-6-32(24-47(43)59(72)82)31-5-13-41-45(23-31)54(77)70(4)53(41)76)71-55(78)42-14-7-33(25-46(42)58(71)81)34-8-16-44-48(26-34)60(83)73(57(44)80)50-27-36(10-20-52(50)75)61(3,63(67,68)69)35-9-19-51(74)30(2)21-35/h5-28,74-75H,1-4H3
InChIKeyFRUCFKHVIOLQEZ-UHFFFAOYSA-N
MW1125.00 g/mol
LogP12.23
Rot. Bonds8

About 5-[2-[4-[4-[5-[2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione

5-[2-[4-[4-[5-[2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione (PubChem CID 118654582) has the molecular formula C63H38F6N4O10 and a molecular weight of 1125.00 g/mol. Its IUPAC name is 5-[2-[4-[4-[5-[2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-[2-[4-[4-[5-[2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione
PubChem CID118654582
Molecular FormulaC63H38F6N4O10
Molecular Weight1125.00 g/mol
Exact Mass1124.25
IUPAC Name5-[2-[4-[4-[5-[2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione
SMILESCc1cc(C(C)(c2ccc(O)c(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(c5ccc(-c7ccc(N8C(=O)c9ccc(-c%10ccc%11c(c%10)C(=O)N(C)C%11=O)cc9C8=O)cc7C(F)(F)F)c(C)c5)C6=O)cc4C3=O)c2)C(F)(F)F)ccc1O
InChIInChI=1S/C63H38F6N4O10/c1-29-22-37(11-17-39(29)40-18-12-38(28-49(40)62(64,65)66)72-56(79)43-15-6-32(24-47(43)59(72)82)31-5-13-41-45(23-31)54(77)70(4)53(41)76)71-55(78)42-14-7-33(25-46(42)58(71)81)34-8-16-44-48(26-34)60(83)73(57(44)80)50-27-36(10-20-52(50)75)61(3,63(67,68)69)35-9-19-51(74)30(2)21-35/h5-28,74-75H,1-4H3
InChIKeyFRUCFKHVIOLQEZ-UHFFFAOYSA-N
XLogP12.23
TPSA189.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001125.00
LogP ≤ 512.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 5-[2-[4-[4-[5-[2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione 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 5-[2-[4-[4-[5-[2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione?
The IUPAC name of 5-[2-[4-[4-[5-[2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione (CID 118654582) is 5-[2-[4-[4-[5-[2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-[2-[4-[4-[5-[2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-[2-[4-[4-[5-[2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione is Cc1cc(C(C)(c2ccc(O)c(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(c5ccc(-c7ccc(N8C(=O)c9ccc(-c%10ccc%11c(c%10)C(=O)N(C)C%11=O)cc9C8=O)cc7C(F)(F)F)c(C)c5)C6=O)cc4C3=O)c2)C(F)(F)F)ccc1O.
What is the InChIKey of 5-[2-[4-[4-[5-[2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione?
The InChIKey is FRUCFKHVIOLQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38F6N4O10/c1-29-22-37(11-17-39(29)40-18-12-38(28-49(40)62(64,65)66)72-56(79)43-15-6-32(24-47(43)59(72)82)31-5-13-41-45(23-31)54(77)70(4)53(41)76)71-55(78)42-14-7-33(25-46(42)58(71)81)34-8-16-44-48(26-34)60(83)73(57(44)80)50-27-36(10-20-52(50)75)61(3,63(67,68)69)35-9-19-51(74)30(2)21-35/h5-28,74-75H,1-4H3.
What are the key properties of 5-[2-[4-[4-[5-[2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione?
5-[2-[4-[4-[5-[2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione has a molecular weight of 1125.00 g/mol, XLogP of 12.23, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[4-[5-[2-[2-hydroxy-5-[1,1,1-trifluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]-2-methylphenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 118654582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).