2-(6-naphtho[1,2-b][1]benzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine

C43H25N3O2 — CID 166741050

IUPAC2-(6-naphtho[1,2-b][1]benzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5c(-c6cccc7c6ccc6c8ccccc8oc76)cccc5c34)n2)cc1
InChIInChI=1S/C43H25N3O2/c1-3-12-26(13-4-1)41-44-42(27-14-5-2-6-15-27)46-43(45-41)35-21-11-23-37-38(35)34-20-10-19-31(40(34)48-37)28-17-9-18-32-29(28)24-25-33-30-16-7-8-22-36(30)47-39(32)33/h1-25H
InChIKeyDLGIHEPQCYAOHL-UHFFFAOYSA-N
MW615.69 g/mol
LogP11.49
Rot. Bonds4

About 2-(6-naphtho[1,2-b][1]benzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine

2-(6-naphtho[1,2-b][1]benzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 166741050) has the molecular formula C43H25N3O2 and a molecular weight of 615.69 g/mol. Its IUPAC name is 2-(6-naphtho[1,2-b][1]benzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(6-naphtho[1,2-b][1]benzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID166741050
Molecular FormulaC43H25N3O2
Molecular Weight615.69 g/mol
Exact Mass615.19
IUPAC Name2-(6-naphtho[1,2-b][1]benzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5c(-c6cccc7c6ccc6c8ccccc8oc76)cccc5c34)n2)cc1
InChIInChI=1S/C43H25N3O2/c1-3-12-26(13-4-1)41-44-42(27-14-5-2-6-15-27)46-43(45-41)35-21-11-23-37-38(35)34-20-10-19-31(40(34)48-37)28-17-9-18-32-29(28)24-25-33-30-16-7-8-22-36(30)47-39(32)33/h1-25H
InChIKeyDLGIHEPQCYAOHL-UHFFFAOYSA-N
XLogP11.49
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.69
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(6-naphtho[1,2-b][1]benzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-(6-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742287
2-(6-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 166952291
2-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741910
2-(6-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166740940
2-dibenzofuran-4-yl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 166743398
8-dibenzofuran-4-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-c]pyridine
CID 168785062
2-phenyl-4-(4-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 155477197
2-(9-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 174292591
2-naphtho[1,2-b][1]benzofuran-7-yl-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 155155981
2-dibenzofuran-4-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741551
2-dibenzofuran-2-yl-4-(6-dibenzofuran-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742839
2-dibenzofuran-4-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741541

Frequently Asked Questions

What is the IUPAC name of 2-(6-naphtho[1,2-b][1]benzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(6-naphtho[1,2-b][1]benzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine (CID 166741050) is 2-(6-naphtho[1,2-b][1]benzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(6-naphtho[1,2-b][1]benzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(6-naphtho[1,2-b][1]benzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5c(-c6cccc7c6ccc6c8ccccc8oc76)cccc5c34)n2)cc1.
What is the InChIKey of 2-(6-naphtho[1,2-b][1]benzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is DLGIHEPQCYAOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N3O2/c1-3-12-26(13-4-1)41-44-42(27-14-5-2-6-15-27)46-43(45-41)35-21-11-23-37-38(35)34-20-10-19-31(40(34)48-37)28-17-9-18-32-29(28)24-25-33-30-16-7-8-22-36(30)47-39(32)33/h1-25H.
What are the key properties of 2-(6-naphtho[1,2-b][1]benzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine?
2-(6-naphtho[1,2-b][1]benzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 615.69 g/mol, XLogP of 11.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-naphtho[1,2-b][1]benzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 166741050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).