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

C26H15N3OS — CID 58501562

IUPAC8-(5-dibenzofuran-2-ylthiophen-3-yl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc2c(c1)oc1ccc(-c3cc(-n4c5cccnc5c5ncccc54)cs3)cc12
InChIInChI=1S/C26H15N3OS/c1-2-8-22-18(5-1)19-13-16(9-10-23(19)30-22)24-14-17(15-31-24)29-20-6-3-11-27-25(20)26-21(29)7-4-12-28-26/h1-15H
InChIKeyDGMOOGNVFLVGRK-UHFFFAOYSA-N
MW417.49 g/mol
LogP7.20
Rot. Bonds2

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

8-(5-dibenzofuran-2-ylthiophen-3-yl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 58501562) has the molecular formula C26H15N3OS and a molecular weight of 417.49 g/mol. Its IUPAC name is 8-(5-dibenzofuran-2-ylthiophen-3-yl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name8-(5-dibenzofuran-2-ylthiophen-3-yl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID58501562
Molecular FormulaC26H15N3OS
Molecular Weight417.49 g/mol
Exact Mass417.09
IUPAC Name8-(5-dibenzofuran-2-ylthiophen-3-yl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc2c(c1)oc1ccc(-c3cc(-n4c5cccnc5c5ncccc54)cs3)cc12
InChIInChI=1S/C26H15N3OS/c1-2-8-22-18(5-1)19-13-16(9-10-23(19)30-22)24-14-17(15-31-24)29-20-6-3-11-27-25(20)26-21(29)7-4-12-28-26/h1-15H
InChIKeyDGMOOGNVFLVGRK-UHFFFAOYSA-N
XLogP7.20
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.49
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(5-dibenzofuran-2-ylthiophen-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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Frequently Asked Questions

What is the IUPAC name of 8-(5-dibenzofuran-2-ylthiophen-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 8-(5-dibenzofuran-2-ylthiophen-3-yl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 58501562) is 8-(5-dibenzofuran-2-ylthiophen-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 8-(5-dibenzofuran-2-ylthiophen-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 8-(5-dibenzofuran-2-ylthiophen-3-yl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1ccc2c(c1)oc1ccc(-c3cc(-n4c5cccnc5c5ncccc54)cs3)cc12.
What is the InChIKey of 8-(5-dibenzofuran-2-ylthiophen-3-yl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is DGMOOGNVFLVGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15N3OS/c1-2-8-22-18(5-1)19-13-16(9-10-23(19)30-22)24-14-17(15-31-24)29-20-6-3-11-27-25(20)26-21(29)7-4-12-28-26/h1-15H.
What are the key properties of 8-(5-dibenzofuran-2-ylthiophen-3-yl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
8-(5-dibenzofuran-2-ylthiophen-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 417.49 g/mol, XLogP of 7.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-dibenzofuran-2-ylthiophen-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 58501562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).