2-[3-(6,7-dihydrodibenzofuran-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine

C39H25N3O2 — CID 174327481

IUPAC2-[3-(6,7-dihydrodibenzofuran-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESC1=Cc2c(oc3ccc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5c(c4)oc4ccccc45)cc23)CC1
InChIInChI=1S/C39H25N3O2/c1-3-11-24(12-4-1)37-40-38(25-13-5-2-6-14-25)42-39(41-37)31-22-27(23-35-36(31)29-16-8-10-18-33(29)44-35)26-19-20-34-30(21-26)28-15-7-9-17-32(28)43-34/h1-8,10-16,18-23H,9,17H2
InChIKeyVYXYJHZDXOETJM-UHFFFAOYSA-N
MW567.65 g/mol
LogP10.14
Rot. Bonds4

About 2-[3-(6,7-dihydrodibenzofuran-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine

2-[3-(6,7-dihydrodibenzofuran-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 174327481) has the molecular formula C39H25N3O2 and a molecular weight of 567.65 g/mol. Its IUPAC name is 2-[3-(6,7-dihydrodibenzofuran-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(6,7-dihydrodibenzofuran-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID174327481
Molecular FormulaC39H25N3O2
Molecular Weight567.65 g/mol
Exact Mass567.19
IUPAC Name2-[3-(6,7-dihydrodibenzofuran-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESC1=Cc2c(oc3ccc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5c(c4)oc4ccccc45)cc23)CC1
InChIInChI=1S/C39H25N3O2/c1-3-11-24(12-4-1)37-40-38(25-13-5-2-6-14-25)42-39(41-37)31-22-27(23-35-36(31)29-16-8-10-18-33(29)44-35)26-19-20-34-30(21-26)28-15-7-9-17-32(28)43-34/h1-8,10-16,18-23H,9,17H2
InChIKeyVYXYJHZDXOETJM-UHFFFAOYSA-N
XLogP10.14
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.65
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-(6,7-dihydrodibenzofuran-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[3-(7,8-dihydrotriphenylen-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 170219498
2-dibenzofuran-1-yl-4-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170017751
2-phenyl-4-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 162450867
2,4-diphenyl-6-[3-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 148977873
2-phenyl-4-(3-phenyldibenzofuran-1-yl)-6-(6-phenylphenanthren-3-yl)-1,3,5-triazine
CID 174314684
2-(6,7-dihydrodibenzofuran-1-yl)-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 146407661
2-(6,7-dihydrodibenzofuran-3-yl)-4-[4-(3-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 167007473
2-(3,5-diphenylphenyl)-4-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 174259251
2-(7,8-dihydronaphthalen-2-yl)-4-(3-phenanthren-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170219053
2-(3-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742355
2-[3-(3,5-diphenylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-(4-triphenylen-2-ylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 158453576
2-phenanthren-3-yl-4-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742439

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6,7-dihydrodibenzofuran-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-(6,7-dihydrodibenzofuran-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine (CID 174327481) is 2-[3-(6,7-dihydrodibenzofuran-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-(6,7-dihydrodibenzofuran-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-(6,7-dihydrodibenzofuran-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine is C1=Cc2c(oc3ccc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5c(c4)oc4ccccc45)cc23)CC1.
What is the InChIKey of 2-[3-(6,7-dihydrodibenzofuran-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is VYXYJHZDXOETJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3O2/c1-3-11-24(12-4-1)37-40-38(25-13-5-2-6-14-25)42-39(41-37)31-22-27(23-35-36(31)29-16-8-10-18-33(29)44-35)26-19-20-34-30(21-26)28-15-7-9-17-32(28)43-34/h1-8,10-16,18-23H,9,17H2.
What are the key properties of 2-[3-(6,7-dihydrodibenzofuran-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?
2-[3-(6,7-dihydrodibenzofuran-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 567.65 g/mol, XLogP of 10.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6,7-dihydrodibenzofuran-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 174327481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).