1,5-diphenyl-3-tritylimidazolidine-2,4-dione

C34H26N2O2 — CID 44614596

IUPAC1,5-diphenyl-3-tritylimidazolidine-2,4-dione
SMILESO=C1C(c2ccccc2)N(c2ccccc2)C(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H26N2O2/c37-32-31(26-16-6-1-7-17-26)35(30-24-14-5-15-25-30)33(38)36(32)34(27-18-8-2-9-19-27,28-20-10-3-11-21-28)29-22-12-4-13-23-29/h1-25,31H
InChIKeyOPMPVEGIWUGGRP-UHFFFAOYSA-N
MW494.59 g/mol
LogP7.19
Rot. Bonds6

About 1,5-diphenyl-3-tritylimidazolidine-2,4-dione

1,5-diphenyl-3-tritylimidazolidine-2,4-dione (PubChem CID 44614596) has the molecular formula C34H26N2O2 and a molecular weight of 494.59 g/mol. Its IUPAC name is 1,5-diphenyl-3-tritylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1,5-diphenyl-3-tritylimidazolidine-2,4-dione
PubChem CID44614596
Molecular FormulaC34H26N2O2
Molecular Weight494.59 g/mol
Exact Mass494.20
IUPAC Name1,5-diphenyl-3-tritylimidazolidine-2,4-dione
SMILESO=C1C(c2ccccc2)N(c2ccccc2)C(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H26N2O2/c37-32-31(26-16-6-1-7-17-26)35(30-24-14-5-15-25-30)33(38)36(32)34(27-18-8-2-9-19-27,28-20-10-3-11-21-28)29-22-12-4-13-23-29/h1-25,31H
InChIKeyOPMPVEGIWUGGRP-UHFFFAOYSA-N
XLogP7.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.59
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-diphenyl-3-tritylimidazolidine-2,4-dione?
The IUPAC name of 1,5-diphenyl-3-tritylimidazolidine-2,4-dione (CID 44614596) is 1,5-diphenyl-3-tritylimidazolidine-2,4-dione.
What is the SMILES notation for 1,5-diphenyl-3-tritylimidazolidine-2,4-dione?
The canonical SMILES for 1,5-diphenyl-3-tritylimidazolidine-2,4-dione is O=C1C(c2ccccc2)N(c2ccccc2)C(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,5-diphenyl-3-tritylimidazolidine-2,4-dione?
The InChIKey is OPMPVEGIWUGGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N2O2/c37-32-31(26-16-6-1-7-17-26)35(30-24-14-5-15-25-30)33(38)36(32)34(27-18-8-2-9-19-27,28-20-10-3-11-21-28)29-22-12-4-13-23-29/h1-25,31H.
What are the key properties of 1,5-diphenyl-3-tritylimidazolidine-2,4-dione?
1,5-diphenyl-3-tritylimidazolidine-2,4-dione has a molecular weight of 494.59 g/mol, XLogP of 7.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenyl-3-tritylimidazolidine-2,4-dione is sourced from PubChem (CID 44614596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).