2-[2-(2-bromoethoxy)ethyl]-6-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C34H37BrN2O7Si — CID 10676150

IUPAC2-[2-(2-bromoethoxy)ethyl]-6-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCC(C)(C)[Si](OCCOCCn1c(=O)c2cc3c(=O)n(CCOCCBr)c(=O)c3cc2c1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H37BrN2O7Si/c1-34(2,3)45(24-10-6-4-7-11-24,25-12-8-5-9-13-25)44-21-20-43-19-16-37-32(40)28-22-26-27(23-29(28)33(37)41)31(39)36(30(26)38)15-18-42-17-14-35/h4-13,22-23H,14-21H2,1-3H3
InChIKeyUARNVGHZPMQNEF-UHFFFAOYSA-N
MW693.67 g/mol
LogP2.92
Rot. Bonds14

About 2-[2-(2-bromoethoxy)ethyl]-6-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

2-[2-(2-bromoethoxy)ethyl]-6-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 10676150) has the molecular formula C34H37BrN2O7Si and a molecular weight of 693.67 g/mol. Its IUPAC name is 2-[2-(2-bromoethoxy)ethyl]-6-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name2-[2-(2-bromoethoxy)ethyl]-6-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID10676150
Molecular FormulaC34H37BrN2O7Si
Molecular Weight693.67 g/mol
Exact Mass692.16
IUPAC Name2-[2-(2-bromoethoxy)ethyl]-6-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCC(C)(C)[Si](OCCOCCn1c(=O)c2cc3c(=O)n(CCOCCBr)c(=O)c3cc2c1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H37BrN2O7Si/c1-34(2,3)45(24-10-6-4-7-11-24,25-12-8-5-9-13-25)44-21-20-43-19-16-37-32(40)28-22-26-27(23-29(28)33(37)41)31(39)36(30(26)38)15-18-42-17-14-35/h4-13,22-23H,14-21H2,1-3H3
InChIKeyUARNVGHZPMQNEF-UHFFFAOYSA-N
XLogP2.92
TPSA105.83 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500693.67
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromoethoxy)ethyl]-6-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 2-[2-(2-bromoethoxy)ethyl]-6-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 10676150) is 2-[2-(2-bromoethoxy)ethyl]-6-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 2-[2-(2-bromoethoxy)ethyl]-6-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 2-[2-(2-bromoethoxy)ethyl]-6-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is CC(C)(C)[Si](OCCOCCn1c(=O)c2cc3c(=O)n(CCOCCBr)c(=O)c3cc2c1=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-(2-bromoethoxy)ethyl]-6-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is UARNVGHZPMQNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37BrN2O7Si/c1-34(2,3)45(24-10-6-4-7-11-24,25-12-8-5-9-13-25)44-21-20-43-19-16-37-32(40)28-22-26-27(23-29(28)33(37)41)31(39)36(30(26)38)15-18-42-17-14-35/h4-13,22-23H,14-21H2,1-3H3.
What are the key properties of 2-[2-(2-bromoethoxy)ethyl]-6-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
2-[2-(2-bromoethoxy)ethyl]-6-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 693.67 g/mol, XLogP of 2.92, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromoethoxy)ethyl]-6-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 10676150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).