6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,6-triphenyl-1,3,5-triazinane-2,4-dione

C30H25N3O3 — CID 24773303

IUPAC6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,6-triphenyl-1,3,5-triazinane-2,4-dione
SMILESCOc1ccc(/C=C/C2(c3ccccc3)NC(=O)N(c3ccccc3)C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C30H25N3O3/c1-36-27-19-17-23(18-20-27)21-22-30(24-11-5-2-6-12-24)31-28(34)32(25-13-7-3-8-14-25)29(35)33(30)26-15-9-4-10-16-26/h2-22H,1H3,(H,31,34)/b22-21+
InChIKeyZKGPQLVYTIDSTJ-QURGRASLSA-N
MW475.55 g/mol
LogP6.42
Rot. Bonds6

About 6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,6-triphenyl-1,3,5-triazinane-2,4-dione

6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,6-triphenyl-1,3,5-triazinane-2,4-dione (PubChem CID 24773303) has the molecular formula C30H25N3O3 and a molecular weight of 475.55 g/mol. Its IUPAC name is 6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,6-triphenyl-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,6-triphenyl-1,3,5-triazinane-2,4-dione
PubChem CID24773303
Molecular FormulaC30H25N3O3
Molecular Weight475.55 g/mol
Exact Mass475.19
IUPAC Name6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,6-triphenyl-1,3,5-triazinane-2,4-dione
SMILESCOc1ccc(/C=C/C2(c3ccccc3)NC(=O)N(c3ccccc3)C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C30H25N3O3/c1-36-27-19-17-23(18-20-27)21-22-30(24-11-5-2-6-12-24)31-28(34)32(25-13-7-3-8-14-25)29(35)33(30)26-15-9-4-10-16-26/h2-22H,1H3,(H,31,34)/b22-21+
InChIKeyZKGPQLVYTIDSTJ-QURGRASLSA-N
XLogP6.42
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.55
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,6-triphenyl-1,3,5-triazinane-2,4-dione with MolForge

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Related Compounds

1,3-bis(4-methoxyphenyl)-5,5-diphenylimidazolidine-2,4-dione
CID 135011161
(5E)-5-[(4-methoxyphenyl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 2054849
1,3-diethyl-6-phenyl-6-[(E)-2-phenylethenyl]-1,3,5-triazinane-2,4-dione
CID 24775414
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
6-tert-butylimino-5-(4-methoxyphenyl)-2-phenyl-2-(trifluoromethyl)-1,3,5-thiadiazinan-4-one
CID 4226471
(2R)-1-(4-methoxyphenyl)-N-(2-methylphenyl)-4-oxo-2-(2-phenylethenyl)azetidine-2-carboxamide
CID 163074482
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
5-hydroxy-4-(4-methoxyphenyl)-1,5-diphenylimidazol-2-one
CID 15683237
(2E)-2-[(4-methoxyphenyl)methylidene]-1-phenylindol-3-one
CID 59748679
(5Z)-5-[(3-methoxyphenyl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 873247
7-(4-methoxyphenyl)-3,3-dimethyl-1-phenylindole-2,5,6-trione
CID 139046877
(5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6068845

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,6-triphenyl-1,3,5-triazinane-2,4-dione?
The IUPAC name of 6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,6-triphenyl-1,3,5-triazinane-2,4-dione (CID 24773303) is 6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,6-triphenyl-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,6-triphenyl-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,6-triphenyl-1,3,5-triazinane-2,4-dione is COc1ccc(/C=C/C2(c3ccccc3)NC(=O)N(c3ccccc3)C(=O)N2c2ccccc2)cc1.
What is the InChIKey of 6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,6-triphenyl-1,3,5-triazinane-2,4-dione?
The InChIKey is ZKGPQLVYTIDSTJ-QURGRASLSA-N. The full InChI is InChI=1S/C30H25N3O3/c1-36-27-19-17-23(18-20-27)21-22-30(24-11-5-2-6-12-24)31-28(34)32(25-13-7-3-8-14-25)29(35)33(30)26-15-9-4-10-16-26/h2-22H,1H3,(H,31,34)/b22-21+.
What are the key properties of 6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,6-triphenyl-1,3,5-triazinane-2,4-dione?
6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,6-triphenyl-1,3,5-triazinane-2,4-dione has a molecular weight of 475.55 g/mol, XLogP of 6.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,6-triphenyl-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 24773303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).