1-benzyl-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)pyrimidine-2,4-dione

C26H20N2O2 — CID 139891662

IUPAC1-benzyl-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccccc2)cc1C1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C26H20N2O2/c29-25-23(17-28(26(30)27-25)16-18-8-2-1-3-9-18)24-21-12-6-4-10-19(21)14-15-20-11-5-7-13-22(20)24/h1-15,17,24H,16H2,(H,27,29,30)
InChIKeyWLXDRUGXCUGAJG-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.25
Rot. Bonds3

About 1-benzyl-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)pyrimidine-2,4-dione

1-benzyl-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)pyrimidine-2,4-dione (PubChem CID 139891662) has the molecular formula C26H20N2O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-benzyl-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)pyrimidine-2,4-dione
PubChem CID139891662
Molecular FormulaC26H20N2O2
Molecular Weight392.46 g/mol
Exact Mass392.15
IUPAC Name1-benzyl-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccccc2)cc1C1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C26H20N2O2/c29-25-23(17-28(26(30)27-25)16-18-8-2-1-3-9-18)24-21-12-6-4-10-19(21)14-15-20-11-5-7-13-22(20)24/h1-15,17,24H,16H2,(H,27,29,30)
InChIKeyWLXDRUGXCUGAJG-UHFFFAOYSA-N
XLogP4.25
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 1-benzyl-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)pyrimidine-2,4-dione with MolForge

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Related Compounds

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CID 11589642
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CID 268733
1,3,5-Tribenzyl-1,3-diazinane-2,4,6-trione
CID 268735
5-benzyl-6-(4-benzylpiperidin-1-yl)-3-methylpyrimidine-2,4(1H,3H)-dione
CID 4193542
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CID 9978999
1-Benzyl-1-ethyl-3-(2,6,7-trimethyl-1-oxo-4-phenyl-1,2-dihydro-isoquinolin-3-yl)-urea
CID 10026200
1-Benzyl-1-methyl-3-(2,6,7-trimethyl-1-oxo-4-phenyl-1,2-dihydro-isoquinolin-3-yl)-urea
CID 10342371
1-(3,5-Dimethyl-benzyl)-1-methyl-3-(2,6,7-trimethyl-1-oxo-4-phenyl-1,2-dihydro-isoquinolin-3-yl)-urea
CID 10456592
5-benzyl-6-(4-phenylpiperidin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 11530605
1-[6-(Tritylamino)hexyl]pyrimidine-2,4-dione
CID 11568685
1-[4-(Tritylamino)butyl]pyrimidine-2,4-dione
CID 11604271

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)pyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)pyrimidine-2,4-dione (CID 139891662) is 1-benzyl-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2ccccc2)cc1C1c2ccccc2C=Cc2ccccc21.
What is the InChIKey of 1-benzyl-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)pyrimidine-2,4-dione?
The InChIKey is WLXDRUGXCUGAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2/c29-25-23(17-28(26(30)27-25)16-18-8-2-1-3-9-18)24-21-12-6-4-10-19(21)14-15-20-11-5-7-13-22(20)24/h1-15,17,24H,16H2,(H,27,29,30).
What are the key properties of 1-benzyl-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)pyrimidine-2,4-dione?
1-benzyl-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)pyrimidine-2,4-dione has a molecular weight of 392.46 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 139891662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).