2-methyl-5-[4-[2-[4-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione

About 2-methyl-5-[4-[2-[4-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione

2-methyl-5-[4-[2-[4-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione (PubChem CID 147801534) has the molecular formula C47H32F6N2O6 and a molecular weight of 834.77 g/mol. Its IUPAC name is 2-methyl-5-[4-[2-[4-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name	2-methyl-5-[4-[2-[4-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione
PubChem CID	147801534
Molecular Formula	C47H32F6N2O6
Molecular Weight	834.77 g/mol
Exact Mass	834.22
IUPAC Name	2-methyl-5-[4-[2-[4-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione
SMILES	Cc1ccc(-c2ccc(N3C(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc8c(c7)C(=O)N(C)C8=O)cc6)cc5)cc4C3=O)cc2C(F)(F)F)c(C(F)(F)F)c1
InChI	InChI=1S/C47H32F6N2O6/c1-25-5-17-33(39(21-25)46(48,49)50)34-18-10-28(22-40(34)47(51,52)53)55-43(58)36-20-16-32(24-38(36)44(55)59)61-30-13-8-27(9-14-30)45(2,3)26-6-11-29(12-7-26)60-31-15-19-35-37(23-31)42(57)54(4)41(35)56/h5-24H,1-4H3
InChIKey	HLPRTRCBIURSGX-UHFFFAOYSA-N
XLogP	11.64
TPSA	93.22 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	8
Heavy Atoms	61
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	834.77
LogP ≤ 5	11.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-[2-[4-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione?

The IUPAC name of 2-methyl-5-[4-[2-[4-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione (CID 147801534) is 2-methyl-5-[4-[2-[4-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione.

What is the SMILES notation for 2-methyl-5-[4-[2-[4-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione?

The canonical SMILES for 2-methyl-5-[4-[2-[4-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione is Cc1ccc(-c2ccc(N3C(=O)c4ccc(Oc5ccc(C(C)(C)c6ccc(Oc7ccc8c(c7)C(=O)N(C)C8=O)cc6)cc5)cc4C3=O)cc2C(F)(F)F)c(C(F)(F)F)c1.

What is the InChIKey of 2-methyl-5-[4-[2-[4-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione?

The InChIKey is HLPRTRCBIURSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32F6N2O6/c1-25-5-17-33(39(21-25)46(48,49)50)34-18-10-28(22-40(34)47(51,52)53)55-43(58)36-20-16-32(24-38(36)44(55)59)61-30-13-8-27(9-14-30)45(2,3)26-6-11-29(12-7-26)60-31-15-19-35-37(23-31)42(57)54(4)41(35)56/h5-24H,1-4H3.

What are the key properties of 2-methyl-5-[4-[2-[4-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione?

2-methyl-5-[4-[2-[4-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione has a molecular weight of 834.77 g/mol, XLogP of 11.64, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-[4-[2-[4-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione is sourced from PubChem (CID 147801534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).