6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline

C36H20N4OS — CID 166502343

IUPAC6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline
SMILESc1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3cccc4oc5cc6cnccc6cc5c34)n2)cc1
InChIInChI=1S/C36H20N4OS/c1-2-7-21(8-3-1)34-38-35(23-13-14-26-25-9-4-5-12-31(25)42-32(26)19-23)40-36(39-34)27-10-6-11-29-33(27)28-17-22-15-16-37-20-24(22)18-30(28)41-29/h1-20H
InChIKeyYFHLZJJZFVUHEV-UHFFFAOYSA-N
MW556.65 g/mol
LogP9.69
Rot. Bonds3

About 6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline

6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline (PubChem CID 166502343) has the molecular formula C36H20N4OS and a molecular weight of 556.65 g/mol. Its IUPAC name is 6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline.

Molecular Properties

Compound Name6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline
PubChem CID166502343
Molecular FormulaC36H20N4OS
Molecular Weight556.65 g/mol
Exact Mass556.14
IUPAC Name6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline
SMILESc1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3cccc4oc5cc6cnccc6cc5c34)n2)cc1
InChIInChI=1S/C36H20N4OS/c1-2-7-21(8-3-1)34-38-35(23-13-14-26-25-9-4-5-12-31(25)42-32(26)19-23)40-36(39-34)27-10-6-11-29-33(27)28-17-22-15-16-37-20-24(22)18-30(28)41-29/h1-20H
InChIKeyYFHLZJJZFVUHEV-UHFFFAOYSA-N
XLogP9.69
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.65
LogP ≤ 59.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline with MolForge

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Related Compounds

2-dibenzothiophen-2-yl-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 163634296
6-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline
CID 166502386
2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166742649
2-[9-(2-dibenzothiophen-3-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170191917
7-dibenzofuran-1-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline
CID 166502685
6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline
CID 166502297
6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline;10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline;10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]quinoline
CID 167568795
6-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]quinoline;6-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline;10-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline;6-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]quinoline;10-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]quinoline
CID 167536865
2-dibenzofuran-1-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 171597375
2-dibenzofuran-3-yl-4-[9-(2-dibenzothiophen-3-ylphenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 170192548
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 138519310
2-dibenzofuran-1-yl-4-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 155328643

Frequently Asked Questions

What is the IUPAC name of 6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline?
The IUPAC name of 6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline (CID 166502343) is 6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline.
What is the SMILES notation for 6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline?
The canonical SMILES for 6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline is c1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3cccc4oc5cc6cnccc6cc5c34)n2)cc1.
What is the InChIKey of 6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline?
The InChIKey is YFHLZJJZFVUHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20N4OS/c1-2-7-21(8-3-1)34-38-35(23-13-14-26-25-9-4-5-12-31(25)42-32(26)19-23)40-36(39-34)27-10-6-11-29-33(27)28-17-22-15-16-37-20-24(22)18-30(28)41-29/h1-20H.
What are the key properties of 6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline?
6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline has a molecular weight of 556.65 g/mol, XLogP of 9.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline is sourced from PubChem (CID 166502343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).