5-phenyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one

C17H10N2O — CID 177439145

IUPAC5-phenyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one
SMILESO=C1c2cccnc2-c2ncc(-c3ccccc3)cc21
InChIInChI=1S/C17H10N2O/c20-17-13-7-4-8-18-15(13)16-14(17)9-12(10-19-16)11-5-2-1-3-6-11/h1-10H
InChIKeyXDPUWINJQQCACG-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.36
Rot. Bonds1

About 5-phenyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one

5-phenyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one (PubChem CID 177439145) has the molecular formula C17H10N2O and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-phenyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one.

Molecular Properties

Compound Name5-phenyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one
PubChem CID177439145
Molecular FormulaC17H10N2O
Molecular Weight258.28 g/mol
Exact Mass258.08
IUPAC Name5-phenyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one
SMILESO=C1c2cccnc2-c2ncc(-c3ccccc3)cc21
InChIInChI=1S/C17H10N2O/c20-17-13-7-4-8-18-15(13)16-14(17)9-12(10-19-16)11-5-2-1-3-6-11/h1-10H
InChIKeyXDPUWINJQQCACG-UHFFFAOYSA-N
XLogP3.36
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-phenyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(bromomethyl)pyrido[3,2-g]quinoline-5,10-dione
CID 11141199
3-methyl-8-(4-methylphenyl)-1,10-phenanthroline-5,6-dione
CID 118026366
2-phenyl-3-[2-[2-(2-phenyl-3-pyridinyl)phenyl]phenyl]pyridine
CID 58947757
4,7-phenanthroline-5,6-dione
CID 6764
3-[(dimethylamino)methyl]pyrido[3,2-g]quinoline-5,10-dione
CID 10880058
6-(3-phenylphenyl)-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaen-20-one
CID 134604690
(6Z)-3,8-bis[4-(hydroxymethyl)phenyl]-6-[isocyano(phenyl)methylidene]-1,10-phenanthrolin-5-one
CID 123278646
2-(3-phenyl-2-pyridinyl)pyrimidine
CID 67877581
2-(2-phenyl-3-pyridinyl)pyrimidine
CID 58421043
1,1'-biphenyl;2,3-dipyridin-2-ylpyridine
CID 67006222
3-phenyl-2-pyridin-3-ylpyridine
CID 140510629
3-(piperidin-1-ylmethyl)pyrido[3,2-g]quinoline-5,10-dione
CID 10018090

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one?
The IUPAC name of 5-phenyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one (CID 177439145) is 5-phenyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one.
What is the SMILES notation for 5-phenyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one?
The canonical SMILES for 5-phenyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one is O=C1c2cccnc2-c2ncc(-c3ccccc3)cc21.
What is the InChIKey of 5-phenyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one?
The InChIKey is XDPUWINJQQCACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O/c20-17-13-7-4-8-18-15(13)16-14(17)9-12(10-19-16)11-5-2-1-3-6-11/h1-10H.
What are the key properties of 5-phenyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one?
5-phenyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one has a molecular weight of 258.28 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-one is sourced from PubChem (CID 177439145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).