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

C39H25N3O2 — CID 142615062

IUPAC2-(4-dibenzofuran-1-yl-1,2-dihydrodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
SMILESC1=C(c2cccc3oc4ccccc4c23)c2oc3ccccc3c2CC1c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C39H25N3O2/c1-3-12-24(13-4-1)37-40-38(25-14-5-2-6-15-25)42-39(41-37)26-22-30-27-16-7-9-19-32(27)44-36(30)31(23-26)28-18-11-21-34-35(28)29-17-8-10-20-33(29)43-34/h1-21,23,26H,22H2
InChIKeyGDDBWGDUHMGFTH-UHFFFAOYSA-N
MW567.65 g/mol
LogP9.62
Rot. Bonds4

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

2-(4-dibenzofuran-1-yl-1,2-dihydrodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 142615062) has the molecular formula C39H25N3O2 and a molecular weight of 567.65 g/mol. Its IUPAC name is 2-(4-dibenzofuran-1-yl-1,2-dihydrodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-dibenzofuran-1-yl-1,2-dihydrodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID142615062
Molecular FormulaC39H25N3O2
Molecular Weight567.65 g/mol
Exact Mass567.19
IUPAC Name2-(4-dibenzofuran-1-yl-1,2-dihydrodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
SMILESC1=C(c2cccc3oc4ccccc4c23)c2oc3ccccc3c2CC1c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C39H25N3O2/c1-3-12-24(13-4-1)37-40-38(25-14-5-2-6-15-25)42-39(41-37)26-22-30-27-16-7-9-19-32(27)44-36(30)31(23-26)28-18-11-21-34-35(28)29-17-8-10-20-33(29)43-34/h1-21,23,26H,22H2
InChIKeyGDDBWGDUHMGFTH-UHFFFAOYSA-N
XLogP9.62
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 ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-dibenzofuran-1-yl-4-phenyl-6-(9-phenyl-3,4-dihydrophenanthren-3-yl)-1,3,5-triazine
CID 174316211
2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118507613
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2-[3-dibenzofuran-1-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139442533
2-(3-dibenzofuran-1-yldibenzofuran-1-yl)-4-(1,2-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170009033
2-[9-(2-dibenzofuran-1-ylphenyl)-3,4-dihydrodibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170192008
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 139303458
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425244
2-dibenzofuran-1-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741540
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2-[9-(2-dibenzofuran-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 176773441
2,4-bis(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139304436

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-1-yl-1,2-dihydrodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(4-dibenzofuran-1-yl-1,2-dihydrodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine (CID 142615062) is 2-(4-dibenzofuran-1-yl-1,2-dihydrodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4-dibenzofuran-1-yl-1,2-dihydrodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(4-dibenzofuran-1-yl-1,2-dihydrodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine is C1=C(c2cccc3oc4ccccc4c23)c2oc3ccccc3c2CC1c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-(4-dibenzofuran-1-yl-1,2-dihydrodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is GDDBWGDUHMGFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3O2/c1-3-12-24(13-4-1)37-40-38(25-14-5-2-6-15-25)42-39(41-37)26-22-30-27-16-7-9-19-32(27)44-36(30)31(23-26)28-18-11-21-34-35(28)29-17-8-10-20-33(29)43-34/h1-21,23,26H,22H2.
What are the key properties of 2-(4-dibenzofuran-1-yl-1,2-dihydrodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine?
2-(4-dibenzofuran-1-yl-1,2-dihydrodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 567.65 g/mol, XLogP of 9.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-1-yl-1,2-dihydrodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 142615062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).