1-[3-(2,2,5,5-tetraphenyl-1,2,5-azadisilolidin-1-yl)propyl]pyrrole-2,5-dione

C33H32N2O2Si2 — CID 67079489

IUPAC1-[3-(2,2,5,5-tetraphenyl-1,2,5-azadisilolidin-1-yl)propyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCN1[Si](c2ccccc2)(c2ccccc2)CC[Si]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H32N2O2Si2/c36-32-22-23-33(37)34(32)24-13-25-35-38(28-14-5-1-6-15-28,29-16-7-2-8-17-29)26-27-39(35,30-18-9-3-10-19-30)31-20-11-4-12-21-31/h1-12,14-23H,13,24-27H2
InChIKeyKMTBNIZAHDFXIS-UHFFFAOYSA-N
MW544.80 g/mol
LogP3.14
Rot. Bonds8

About 1-[3-(2,2,5,5-tetraphenyl-1,2,5-azadisilolidin-1-yl)propyl]pyrrole-2,5-dione

1-[3-(2,2,5,5-tetraphenyl-1,2,5-azadisilolidin-1-yl)propyl]pyrrole-2,5-dione (PubChem CID 67079489) has the molecular formula C33H32N2O2Si2 and a molecular weight of 544.80 g/mol. Its IUPAC name is 1-[3-(2,2,5,5-tetraphenyl-1,2,5-azadisilolidin-1-yl)propyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-(2,2,5,5-tetraphenyl-1,2,5-azadisilolidin-1-yl)propyl]pyrrole-2,5-dione
PubChem CID67079489
Molecular FormulaC33H32N2O2Si2
Molecular Weight544.80 g/mol
Exact Mass544.20
IUPAC Name1-[3-(2,2,5,5-tetraphenyl-1,2,5-azadisilolidin-1-yl)propyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCN1[Si](c2ccccc2)(c2ccccc2)CC[Si]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H32N2O2Si2/c36-32-22-23-33(37)34(32)24-13-25-35-38(28-14-5-1-6-15-28,29-16-7-2-8-17-29)26-27-39(35,30-18-9-3-10-19-30)31-20-11-4-12-21-31/h1-12,14-23H,13,24-27H2
InChIKeyKMTBNIZAHDFXIS-UHFFFAOYSA-N
XLogP3.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.80
LogP ≤ 53.14
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2,5,5-tetraphenyl-1,2,5-azadisilolidin-1-yl)propyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-(2,2,5,5-tetraphenyl-1,2,5-azadisilolidin-1-yl)propyl]pyrrole-2,5-dione (CID 67079489) is 1-[3-(2,2,5,5-tetraphenyl-1,2,5-azadisilolidin-1-yl)propyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-(2,2,5,5-tetraphenyl-1,2,5-azadisilolidin-1-yl)propyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-(2,2,5,5-tetraphenyl-1,2,5-azadisilolidin-1-yl)propyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCCN1[Si](c2ccccc2)(c2ccccc2)CC[Si]1(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[3-(2,2,5,5-tetraphenyl-1,2,5-azadisilolidin-1-yl)propyl]pyrrole-2,5-dione?
The InChIKey is KMTBNIZAHDFXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N2O2Si2/c36-32-22-23-33(37)34(32)24-13-25-35-38(28-14-5-1-6-15-28,29-16-7-2-8-17-29)26-27-39(35,30-18-9-3-10-19-30)31-20-11-4-12-21-31/h1-12,14-23H,13,24-27H2.
What are the key properties of 1-[3-(2,2,5,5-tetraphenyl-1,2,5-azadisilolidin-1-yl)propyl]pyrrole-2,5-dione?
1-[3-(2,2,5,5-tetraphenyl-1,2,5-azadisilolidin-1-yl)propyl]pyrrole-2,5-dione has a molecular weight of 544.80 g/mol, XLogP of 3.14, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2,5,5-tetraphenyl-1,2,5-azadisilolidin-1-yl)propyl]pyrrole-2,5-dione is sourced from PubChem (CID 67079489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).