1,5,6-triphenyl-1,3-diazinane-2,4-dione

C22H18N2O2 — CID 602445

IUPAC1,5,6-triphenyl-1,3-diazinane-2,4-dione
SMILESO=C1NC(=O)N(c2ccccc2)C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C22H18N2O2/c25-21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)24(22(26)23-21)18-14-8-3-9-15-18/h1-15,19-20H,(H,23,25,26)
InChIKeyCDFIHNGXQXEVNX-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.27
Rot. Bonds3

About 1,5,6-triphenyl-1,3-diazinane-2,4-dione

1,5,6-triphenyl-1,3-diazinane-2,4-dione (PubChem CID 602445) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1,5,6-triphenyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1,5,6-triphenyl-1,3-diazinane-2,4-dione
PubChem CID602445
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name1,5,6-triphenyl-1,3-diazinane-2,4-dione
SMILESO=C1NC(=O)N(c2ccccc2)C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C22H18N2O2/c25-21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)24(22(26)23-21)18-14-8-3-9-15-18/h1-15,19-20H,(H,23,25,26)
InChIKeyCDFIHNGXQXEVNX-UHFFFAOYSA-N
XLogP4.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5R,6S)-1,5,6-triphenyl-2-sulfanylidene-1,3-diazinan-4-one
CID 40634429
(3S,4R)-4-(4-chlorophenyl)-1,3-diphenylazetidin-2-one
CID 71385795
5-(4-methylphenyl)-1-phenylimidazolidine-2,4-dione
CID 23244322
(3R,4S)-3-bromo-4-phenylpyrrolidine-2,5-dione
CID 99563949
(3R,4S)-3-hydroxy-1,4-diphenylazetidin-2-one
CID 11424956
4-(4-fluorophenyl)-1-(4-iodophenyl)-3-phenylazetidin-2-one
CID 15159091
(3R,4R)-3-chloro-4-phenylpyrrolidine-2,5-dione
CID 98010170
(3R,4S)-3-methyl-4-phenylpyrrolidine-2,5-dione
CID 917022
3-acetyl-1,4-diphenylazetidin-2-one
CID 12575792
3-phenyl-4-phenylsulfanylpyrrolidine-2,5-dione
CID 14796237
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
1-phenyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 154116250

Frequently Asked Questions

What is the IUPAC name of 1,5,6-triphenyl-1,3-diazinane-2,4-dione?
The IUPAC name of 1,5,6-triphenyl-1,3-diazinane-2,4-dione (CID 602445) is 1,5,6-triphenyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1,5,6-triphenyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1,5,6-triphenyl-1,3-diazinane-2,4-dione is O=C1NC(=O)N(c2ccccc2)C(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 1,5,6-triphenyl-1,3-diazinane-2,4-dione?
The InChIKey is CDFIHNGXQXEVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c25-21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)24(22(26)23-21)18-14-8-3-9-15-18/h1-15,19-20H,(H,23,25,26).
What are the key properties of 1,5,6-triphenyl-1,3-diazinane-2,4-dione?
1,5,6-triphenyl-1,3-diazinane-2,4-dione has a molecular weight of 342.40 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6-triphenyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 602445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).