1-[4-[[[[[4-(2,5-dioxopyrrol-1-yl)phenoxy]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxyphenyl]pyrrole-2,5-dione

C28H36N2O9Si4 — CID 102277992

IUPAC1-[4-[[[[[4-(2,5-dioxopyrrol-1-yl)phenoxy]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxyphenyl]pyrrole-2,5-dione
SMILESC[Si](C)(Oc1ccc(N2C(=O)C=CC2=O)cc1)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)Oc1ccc(N2C(=O)C=CC2=O)cc1
InChIInChI=1S/C28H36N2O9Si4/c1-40(2,35-23-13-9-21(10-14-23)29-25(31)17-18-26(29)32)37-42(5,6)39-43(7,8)38-41(3,4)36-24-15-11-22(12-16-24)30-27(33)19-20-28(30)34/h9-20H,1-8H3
InChIKeyNETKQNBCQJRQNW-UHFFFAOYSA-N
MW656.95 g/mol
LogP4.86
Rot. Bonds12

About 1-[4-[[[[[4-(2,5-dioxopyrrol-1-yl)phenoxy]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxyphenyl]pyrrole-2,5-dione

1-[4-[[[[[4-(2,5-dioxopyrrol-1-yl)phenoxy]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxyphenyl]pyrrole-2,5-dione (PubChem CID 102277992) has the molecular formula C28H36N2O9Si4 and a molecular weight of 656.95 g/mol. Its IUPAC name is 1-[4-[[[[[4-(2,5-dioxopyrrol-1-yl)phenoxy]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxyphenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-[[[[[4-(2,5-dioxopyrrol-1-yl)phenoxy]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxyphenyl]pyrrole-2,5-dione
PubChem CID102277992
Molecular FormulaC28H36N2O9Si4
Molecular Weight656.95 g/mol
Exact Mass656.15
IUPAC Name1-[4-[[[[[4-(2,5-dioxopyrrol-1-yl)phenoxy]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxyphenyl]pyrrole-2,5-dione
SMILESC[Si](C)(Oc1ccc(N2C(=O)C=CC2=O)cc1)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)Oc1ccc(N2C(=O)C=CC2=O)cc1
InChIInChI=1S/C28H36N2O9Si4/c1-40(2,35-23-13-9-21(10-14-23)29-25(31)17-18-26(29)32)37-42(5,6)39-43(7,8)38-41(3,4)36-24-15-11-22(12-16-24)30-27(33)19-20-28(30)34/h9-20H,1-8H3
InChIKeyNETKQNBCQJRQNW-UHFFFAOYSA-N
XLogP4.86
TPSA120.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500656.95
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[[[[4-(2,5-dioxopyrrol-1-yl)phenoxy]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxyphenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-[[[[[4-(2,5-dioxopyrrol-1-yl)phenoxy]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxyphenyl]pyrrole-2,5-dione (CID 102277992) is 1-[4-[[[[[4-(2,5-dioxopyrrol-1-yl)phenoxy]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxyphenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-[[[[[4-(2,5-dioxopyrrol-1-yl)phenoxy]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxyphenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-[[[[[4-(2,5-dioxopyrrol-1-yl)phenoxy]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxyphenyl]pyrrole-2,5-dione is C[Si](C)(Oc1ccc(N2C(=O)C=CC2=O)cc1)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)Oc1ccc(N2C(=O)C=CC2=O)cc1.
What is the InChIKey of 1-[4-[[[[[4-(2,5-dioxopyrrol-1-yl)phenoxy]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxyphenyl]pyrrole-2,5-dione?
The InChIKey is NETKQNBCQJRQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O9Si4/c1-40(2,35-23-13-9-21(10-14-23)29-25(31)17-18-26(29)32)37-42(5,6)39-43(7,8)38-41(3,4)36-24-15-11-22(12-16-24)30-27(33)19-20-28(30)34/h9-20H,1-8H3.
What are the key properties of 1-[4-[[[[[4-(2,5-dioxopyrrol-1-yl)phenoxy]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxyphenyl]pyrrole-2,5-dione?
1-[4-[[[[[4-(2,5-dioxopyrrol-1-yl)phenoxy]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxyphenyl]pyrrole-2,5-dione has a molecular weight of 656.95 g/mol, XLogP of 4.86, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[[[[4-(2,5-dioxopyrrol-1-yl)phenoxy]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxyphenyl]pyrrole-2,5-dione is sourced from PubChem (CID 102277992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).