1-[3-[bis(triphenylsilyl)amino]propyl]pyrrole-2,5-dione

C43H38N2O2Si2 — CID 87260783

IUPAC1-[3-[bis(triphenylsilyl)amino]propyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCN([Si](c1ccccc1)(c1ccccc1)c1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C43H38N2O2Si2/c46-42-32-33-43(47)44(42)34-19-35-45(48(36-20-7-1-8-21-36,37-22-9-2-10-23-37)38-24-11-3-12-25-38)49(39-26-13-4-14-27-39,40-28-15-5-16-29-40)41-30-17-6-18-31-41/h1-18,20-33H,19,34-35H2
InChIKeyCEAPMJBZNYHYDZ-UHFFFAOYSA-N
MW670.96 g/mol
LogP3.94
Rot. Bonds12

About 1-[3-[bis(triphenylsilyl)amino]propyl]pyrrole-2,5-dione

1-[3-[bis(triphenylsilyl)amino]propyl]pyrrole-2,5-dione (PubChem CID 87260783) has the molecular formula C43H38N2O2Si2 and a molecular weight of 670.96 g/mol. Its IUPAC name is 1-[3-[bis(triphenylsilyl)amino]propyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-[bis(triphenylsilyl)amino]propyl]pyrrole-2,5-dione
PubChem CID87260783
Molecular FormulaC43H38N2O2Si2
Molecular Weight670.96 g/mol
Exact Mass670.25
IUPAC Name1-[3-[bis(triphenylsilyl)amino]propyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCN([Si](c1ccccc1)(c1ccccc1)c1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C43H38N2O2Si2/c46-42-32-33-43(47)44(42)34-19-35-45(48(36-20-7-1-8-21-36,37-22-9-2-10-23-37)38-24-11-3-12-25-38)49(39-26-13-4-14-27-39,40-28-15-5-16-29-40)41-30-17-6-18-31-41/h1-18,20-33H,19,34-35H2
InChIKeyCEAPMJBZNYHYDZ-UHFFFAOYSA-N
XLogP3.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500670.96
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[bis(triphenylsilyl)amino]propyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-[bis(triphenylsilyl)amino]propyl]pyrrole-2,5-dione (CID 87260783) is 1-[3-[bis(triphenylsilyl)amino]propyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-[bis(triphenylsilyl)amino]propyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-[bis(triphenylsilyl)amino]propyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCCN([Si](c1ccccc1)(c1ccccc1)c1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[3-[bis(triphenylsilyl)amino]propyl]pyrrole-2,5-dione?
The InChIKey is CEAPMJBZNYHYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H38N2O2Si2/c46-42-32-33-43(47)44(42)34-19-35-45(48(36-20-7-1-8-21-36,37-22-9-2-10-23-37)38-24-11-3-12-25-38)49(39-26-13-4-14-27-39,40-28-15-5-16-29-40)41-30-17-6-18-31-41/h1-18,20-33H,19,34-35H2.
What are the key properties of 1-[3-[bis(triphenylsilyl)amino]propyl]pyrrole-2,5-dione?
1-[3-[bis(triphenylsilyl)amino]propyl]pyrrole-2,5-dione has a molecular weight of 670.96 g/mol, XLogP of 3.94, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[bis(triphenylsilyl)amino]propyl]pyrrole-2,5-dione is sourced from PubChem (CID 87260783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).