1-[3-[[[3-(2,5-dioxopyrrol-1-yl)-5-(trifluoromethyl)phenyl]-dimethylsilyl]oxy-dimethylsilyl]-5-(trifluoromethyl)phenyl]pyrrole-2,5-dione

C26H22F6N2O5Si2 — CID 23368896

IUPAC1-[3-[[[3-(2,5-dioxopyrrol-1-yl)-5-(trifluoromethyl)phenyl]-dimethylsilyl]oxy-dimethylsilyl]-5-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESC[Si](C)(O[Si](C)(C)c1cc(N2C(=O)C=CC2=O)cc(C(F)(F)F)c1)c1cc(N2C(=O)C=CC2=O)cc(C(F)(F)F)c1
InChIInChI=1S/C26H22F6N2O5Si2/c1-40(2,19-11-15(25(27,28)29)9-17(13-19)33-21(35)5-6-22(33)36)39-41(3,4)20-12-16(26(30,31)32)10-18(14-20)34-23(37)7-8-24(34)38/h5-14H,1-4H3
InChIKeyNOPBSALEDQRJBI-UHFFFAOYSA-N
MW612.63 g/mol
LogP4.12
Rot. Bonds6

About 1-[3-[[[3-(2,5-dioxopyrrol-1-yl)-5-(trifluoromethyl)phenyl]-dimethylsilyl]oxy-dimethylsilyl]-5-(trifluoromethyl)phenyl]pyrrole-2,5-dione

1-[3-[[[3-(2,5-dioxopyrrol-1-yl)-5-(trifluoromethyl)phenyl]-dimethylsilyl]oxy-dimethylsilyl]-5-(trifluoromethyl)phenyl]pyrrole-2,5-dione (PubChem CID 23368896) has the molecular formula C26H22F6N2O5Si2 and a molecular weight of 612.63 g/mol. Its IUPAC name is 1-[3-[[[3-(2,5-dioxopyrrol-1-yl)-5-(trifluoromethyl)phenyl]-dimethylsilyl]oxy-dimethylsilyl]-5-(trifluoromethyl)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-[[[3-(2,5-dioxopyrrol-1-yl)-5-(trifluoromethyl)phenyl]-dimethylsilyl]oxy-dimethylsilyl]-5-(trifluoromethyl)phenyl]pyrrole-2,5-dione
PubChem CID23368896
Molecular FormulaC26H22F6N2O5Si2
Molecular Weight612.63 g/mol
Exact Mass612.10
IUPAC Name1-[3-[[[3-(2,5-dioxopyrrol-1-yl)-5-(trifluoromethyl)phenyl]-dimethylsilyl]oxy-dimethylsilyl]-5-(trifluoromethyl)phenyl]pyrrole-2,5-dione
SMILESC[Si](C)(O[Si](C)(C)c1cc(N2C(=O)C=CC2=O)cc(C(F)(F)F)c1)c1cc(N2C(=O)C=CC2=O)cc(C(F)(F)F)c1
InChIInChI=1S/C26H22F6N2O5Si2/c1-40(2,19-11-15(25(27,28)29)9-17(13-19)33-21(35)5-6-22(33)36)39-41(3,4)20-12-16(26(30,31)32)10-18(14-20)34-23(37)7-8-24(34)38/h5-14H,1-4H3
InChIKeyNOPBSALEDQRJBI-UHFFFAOYSA-N
XLogP4.12
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500612.63
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-chloro-5-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 116700364
1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 2807570
1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]-2,3-bis(trifluoromethyl)phenoxy]phenyl]pyrrole-2,5-dione
CID 141170020
3-(2,5-dioxopyrrol-1-yl)-5-fluorobenzoic acid
CID 151314115
1-[4-[4-[1,1-bis[4-[4-(2,5-dioxopyrrol-1-yl)-2-(trifluoromethyl)phenoxy]phenyl]ethyl]phenoxy]-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 102282521
1-[4-[[[[[4-(2,5-dioxopyrrol-1-yl)phenoxy]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxyphenyl]pyrrole-2,5-dione
CID 102277992
1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 3729076
2-methyl-6-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine
CID 132934758
2-[3,5-bis(trifluoromethyl)phenyl]isoquinoline-1,3,4-trione
CID 10715230
1-[3-tert-butyl-5-(trifluoromethyl)phenyl]-3-sulfanylpyrrolidine-2,5-dione
CID 137390939
4-[3-bromo-5-(trifluoromethyl)phenyl]morpholine-2,6-dione
CID 65491246
7,18-bis[3,5-bis(trifluoromethyl)phenyl]-10,11,14,15,21,22,25,26-octachloro-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 58194114

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[[3-(2,5-dioxopyrrol-1-yl)-5-(trifluoromethyl)phenyl]-dimethylsilyl]oxy-dimethylsilyl]-5-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-[[[3-(2,5-dioxopyrrol-1-yl)-5-(trifluoromethyl)phenyl]-dimethylsilyl]oxy-dimethylsilyl]-5-(trifluoromethyl)phenyl]pyrrole-2,5-dione (CID 23368896) is 1-[3-[[[3-(2,5-dioxopyrrol-1-yl)-5-(trifluoromethyl)phenyl]-dimethylsilyl]oxy-dimethylsilyl]-5-(trifluoromethyl)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-[[[3-(2,5-dioxopyrrol-1-yl)-5-(trifluoromethyl)phenyl]-dimethylsilyl]oxy-dimethylsilyl]-5-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-[[[3-(2,5-dioxopyrrol-1-yl)-5-(trifluoromethyl)phenyl]-dimethylsilyl]oxy-dimethylsilyl]-5-(trifluoromethyl)phenyl]pyrrole-2,5-dione is C[Si](C)(O[Si](C)(C)c1cc(N2C(=O)C=CC2=O)cc(C(F)(F)F)c1)c1cc(N2C(=O)C=CC2=O)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-[[[3-(2,5-dioxopyrrol-1-yl)-5-(trifluoromethyl)phenyl]-dimethylsilyl]oxy-dimethylsilyl]-5-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
The InChIKey is NOPBSALEDQRJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F6N2O5Si2/c1-40(2,19-11-15(25(27,28)29)9-17(13-19)33-21(35)5-6-22(33)36)39-41(3,4)20-12-16(26(30,31)32)10-18(14-20)34-23(37)7-8-24(34)38/h5-14H,1-4H3.
What are the key properties of 1-[3-[[[3-(2,5-dioxopyrrol-1-yl)-5-(trifluoromethyl)phenyl]-dimethylsilyl]oxy-dimethylsilyl]-5-(trifluoromethyl)phenyl]pyrrole-2,5-dione?
1-[3-[[[3-(2,5-dioxopyrrol-1-yl)-5-(trifluoromethyl)phenyl]-dimethylsilyl]oxy-dimethylsilyl]-5-(trifluoromethyl)phenyl]pyrrole-2,5-dione has a molecular weight of 612.63 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[[3-(2,5-dioxopyrrol-1-yl)-5-(trifluoromethyl)phenyl]-dimethylsilyl]oxy-dimethylsilyl]-5-(trifluoromethyl)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 23368896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).