1,3-bis(2,6-dimethylphenyl)-6-[(E)-2-phenylethenyl]-1,3-diazinane-2,4-dione

C28H28N2O2 — CID 71739240

IUPAC1,3-bis(2,6-dimethylphenyl)-6-[(E)-2-phenylethenyl]-1,3-diazinane-2,4-dione
SMILESCc1cccc(C)c1N1C(=O)CC(/C=C/c2ccccc2)N(c2c(C)cccc2C)C1=O
InChIInChI=1S/C28H28N2O2/c1-19-10-8-11-20(2)26(19)29-24(17-16-23-14-6-5-7-15-23)18-25(31)30(28(29)32)27-21(3)12-9-13-22(27)4/h5-17,24H,18H2,1-4H3/b17-16+
InChIKeyUMOLGBMRHHHNEX-WUKNDPDISA-N
MW424.54 g/mol
LogP6.37
Rot. Bonds4

About 1,3-bis(2,6-dimethylphenyl)-6-[(E)-2-phenylethenyl]-1,3-diazinane-2,4-dione

1,3-bis(2,6-dimethylphenyl)-6-[(E)-2-phenylethenyl]-1,3-diazinane-2,4-dione (PubChem CID 71739240) has the molecular formula C28H28N2O2 and a molecular weight of 424.54 g/mol. Its IUPAC name is 1,3-bis(2,6-dimethylphenyl)-6-[(E)-2-phenylethenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1,3-bis(2,6-dimethylphenyl)-6-[(E)-2-phenylethenyl]-1,3-diazinane-2,4-dione
PubChem CID71739240
Molecular FormulaC28H28N2O2
Molecular Weight424.54 g/mol
Exact Mass424.22
IUPAC Name1,3-bis(2,6-dimethylphenyl)-6-[(E)-2-phenylethenyl]-1,3-diazinane-2,4-dione
SMILESCc1cccc(C)c1N1C(=O)CC(/C=C/c2ccccc2)N(c2c(C)cccc2C)C1=O
InChIInChI=1S/C28H28N2O2/c1-19-10-8-11-20(2)26(19)29-24(17-16-23-14-6-5-7-15-23)18-25(31)30(28(29)32)27-21(3)12-9-13-22(27)4/h5-17,24H,18H2,1-4H3/b17-16+
InChIKeyUMOLGBMRHHHNEX-WUKNDPDISA-N
XLogP6.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,6-dimethylphenyl)-6-[(E)-2-phenylethenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1,3-bis(2,6-dimethylphenyl)-6-[(E)-2-phenylethenyl]-1,3-diazinane-2,4-dione (CID 71739240) is 1,3-bis(2,6-dimethylphenyl)-6-[(E)-2-phenylethenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1,3-bis(2,6-dimethylphenyl)-6-[(E)-2-phenylethenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1,3-bis(2,6-dimethylphenyl)-6-[(E)-2-phenylethenyl]-1,3-diazinane-2,4-dione is Cc1cccc(C)c1N1C(=O)CC(/C=C/c2ccccc2)N(c2c(C)cccc2C)C1=O.
What is the InChIKey of 1,3-bis(2,6-dimethylphenyl)-6-[(E)-2-phenylethenyl]-1,3-diazinane-2,4-dione?
The InChIKey is UMOLGBMRHHHNEX-WUKNDPDISA-N. The full InChI is InChI=1S/C28H28N2O2/c1-19-10-8-11-20(2)26(19)29-24(17-16-23-14-6-5-7-15-23)18-25(31)30(28(29)32)27-21(3)12-9-13-22(27)4/h5-17,24H,18H2,1-4H3/b17-16+.
What are the key properties of 1,3-bis(2,6-dimethylphenyl)-6-[(E)-2-phenylethenyl]-1,3-diazinane-2,4-dione?
1,3-bis(2,6-dimethylphenyl)-6-[(E)-2-phenylethenyl]-1,3-diazinane-2,4-dione has a molecular weight of 424.54 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,6-dimethylphenyl)-6-[(E)-2-phenylethenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 71739240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).