5-dibenzofuran-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C22H13N3O — CID 137392078

IUPAC5-dibenzofuran-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1cnc2c(c1)[nH]c1cc(-c3ccc4c(c3)oc3ccccc34)cnc12
InChIInChI=1S/C22H13N3O/c1-2-6-19-15(4-1)16-8-7-13(11-20(16)26-19)14-10-18-22(24-12-14)21-17(25-18)5-3-9-23-21/h1-12,25H
InChIKeyPFMCUPSVDOQWTO-UHFFFAOYSA-N
MW335.37 g/mol
LogP5.68
Rot. Bonds1

About 5-dibenzofuran-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

5-dibenzofuran-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 137392078) has the molecular formula C22H13N3O and a molecular weight of 335.37 g/mol. Its IUPAC name is 5-dibenzofuran-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name5-dibenzofuran-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID137392078
Molecular FormulaC22H13N3O
Molecular Weight335.37 g/mol
Exact Mass335.11
IUPAC Name5-dibenzofuran-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1cnc2c(c1)[nH]c1cc(-c3ccc4c(c3)oc3ccccc34)cnc12
InChIInChI=1S/C22H13N3O/c1-2-6-19-15(4-1)16-8-7-13(11-20(16)26-19)14-10-18-22(24-12-14)21-17(25-18)5-3-9-23-21/h1-12,25H
InChIKeyPFMCUPSVDOQWTO-UHFFFAOYSA-N
XLogP5.68
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.37
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-dibenzofuran-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Related Compounds

2-phenyl-[1]benzofuro[2,3-b]pyridine;3-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-b]pyridine
CID 160907375
3-[3-(3-cinnolin-3-yl-5-dibenzofuran-3-ylphenyl)phenyl]-1,10-phenanthroline
CID 171459837
17-pyridin-2-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 176783543
5-(8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 167165543
2-dibenzofuran-2-yl-8-[3-(8-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]dibenzofuran;3-dibenzofuran-2-yl-5-(8-dibenzofuran-2-yldibenzofuran-2-yl)pyridine;8-[8-[3-(8-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]-[1]benzofuro[3,2-b]pyridine;3-(8-phenyldibenzofuran-2-yl)-5-[8-(8-phenyldibenzofuran-2-yl)dibenzofuran-2-yl]pyridine
CID 159244725
dibenzofuran;9H-pyrido[2,3-b]indole
CID 175499202
N-[4-([1]benzofuro[2,3-b]pyridin-3-yl)phenyl]-4-dibenzofuran-3-yl-N-(4-dibenzofuran-3-ylphenyl)aniline
CID 168765502
7-phenyl-[1]benzofuro[2,3-b]pyridine;7-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-c]pyridine;7-phenyl-[1]benzofuro[3,2-c]pyridine
CID 158403740
3-[4-(2-dibenzofuran-3-yl-6-isoquinolin-8-yl-4-pyridinyl)phenyl]-1,10-phenanthroline
CID 171459774
23-oxa-3-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 177294255
3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964733
11-(4-dibenzofuran-2-ylphenyl)benzo[f][1,10]phenanthroline
CID 90049940

Frequently Asked Questions

What is the IUPAC name of 5-dibenzofuran-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 5-dibenzofuran-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 137392078) is 5-dibenzofuran-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 5-dibenzofuran-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 5-dibenzofuran-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1cnc2c(c1)[nH]c1cc(-c3ccc4c(c3)oc3ccccc34)cnc12.
What is the InChIKey of 5-dibenzofuran-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is PFMCUPSVDOQWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13N3O/c1-2-6-19-15(4-1)16-8-7-13(11-20(16)26-19)14-10-18-22(24-12-14)21-17(25-18)5-3-9-23-21/h1-12,25H.
What are the key properties of 5-dibenzofuran-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
5-dibenzofuran-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 335.37 g/mol, XLogP of 5.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dibenzofuran-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 137392078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).