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

C44H28N4O2 — CID 153193709

IUPAC2-dibenzofuran-1-yl-4-phenyl-6-[6-(4-pyridin-2-ylphenyl)-6,7-dihydrodibenzofuran-1-yl]-1,3,5-triazine
SMILESC1=Cc2c(oc3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccccc7c56)n4)c23)C(c2ccc(-c3ccccn3)cc2)C1
InChIInChI=1S/C44H28N4O2/c1-2-11-29(12-3-1)42-46-43(33-16-9-20-37-39(33)31-13-4-5-19-36(31)49-37)48-44(47-42)34-17-10-21-38-40(34)32-15-8-14-30(41(32)50-38)27-22-24-28(25-23-27)35-18-6-7-26-45-35/h1-13,15-26,30H,14H2
InChIKeyWIOCITJVGFVPCS-UHFFFAOYSA-N
MW644.73 g/mol
LogP11.13
Rot. Bonds5

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

2-dibenzofuran-1-yl-4-phenyl-6-[6-(4-pyridin-2-ylphenyl)-6,7-dihydrodibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 153193709) has the molecular formula C44H28N4O2 and a molecular weight of 644.73 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-phenyl-6-[6-(4-pyridin-2-ylphenyl)-6,7-dihydrodibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-phenyl-6-[6-(4-pyridin-2-ylphenyl)-6,7-dihydrodibenzofuran-1-yl]-1,3,5-triazine
PubChem CID153193709
Molecular FormulaC44H28N4O2
Molecular Weight644.73 g/mol
Exact Mass644.22
IUPAC Name2-dibenzofuran-1-yl-4-phenyl-6-[6-(4-pyridin-2-ylphenyl)-6,7-dihydrodibenzofuran-1-yl]-1,3,5-triazine
SMILESC1=Cc2c(oc3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccccc7c56)n4)c23)C(c2ccc(-c3ccccn3)cc2)C1
InChIInChI=1S/C44H28N4O2/c1-2-11-29(12-3-1)42-46-43(33-16-9-20-37-39(33)31-13-4-5-19-36(31)49-37)48-44(47-42)34-17-10-21-38-40(34)32-15-8-14-30(41(32)50-38)27-22-24-28(25-23-27)35-18-6-7-26-45-35/h1-13,15-26,30H,14H2
InChIKeyWIOCITJVGFVPCS-UHFFFAOYSA-N
XLogP11.13
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.73
LogP ≤ 511.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dihydrodibenzofuran-4-yl)-4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 167007821
2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-pyridin-2-yl-1,3,5-triazine
CID 170928036
2-dibenzofuran-4-yl-4-phenyl-6-[8-(4-pyridin-2-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142353224
2,4-diphenyl-6-[1-(4-pyridin-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 142491071
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2-dibenzofuran-1-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741540
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(1,2-dihydronaphthalen-1-yl)phenyl]-6-naphthalen-2-yl-1,3,5-triazine
CID 170222893
2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[8-(4-pyridin-2-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142353221
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164972990
2-dibenzothiophen-1-yl-4-phenyl-6-[6-(4-pyridin-2-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 159024205
2-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(2-pyridin-2-ylphenyl)pyrimidine
CID 159763916

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-phenyl-6-[6-(4-pyridin-2-ylphenyl)-6,7-dihydrodibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-phenyl-6-[6-(4-pyridin-2-ylphenyl)-6,7-dihydrodibenzofuran-1-yl]-1,3,5-triazine (CID 153193709) is 2-dibenzofuran-1-yl-4-phenyl-6-[6-(4-pyridin-2-ylphenyl)-6,7-dihydrodibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-phenyl-6-[6-(4-pyridin-2-ylphenyl)-6,7-dihydrodibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-phenyl-6-[6-(4-pyridin-2-ylphenyl)-6,7-dihydrodibenzofuran-1-yl]-1,3,5-triazine is C1=Cc2c(oc3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccccc7c56)n4)c23)C(c2ccc(-c3ccccn3)cc2)C1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-phenyl-6-[6-(4-pyridin-2-ylphenyl)-6,7-dihydrodibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is WIOCITJVGFVPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4O2/c1-2-11-29(12-3-1)42-46-43(33-16-9-20-37-39(33)31-13-4-5-19-36(31)49-37)48-44(47-42)34-17-10-21-38-40(34)32-15-8-14-30(41(32)50-38)27-22-24-28(25-23-27)35-18-6-7-26-45-35/h1-13,15-26,30H,14H2.
What are the key properties of 2-dibenzofuran-1-yl-4-phenyl-6-[6-(4-pyridin-2-ylphenyl)-6,7-dihydrodibenzofuran-1-yl]-1,3,5-triazine?
2-dibenzofuran-1-yl-4-phenyl-6-[6-(4-pyridin-2-ylphenyl)-6,7-dihydrodibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 644.73 g/mol, XLogP of 11.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-phenyl-6-[6-(4-pyridin-2-ylphenyl)-6,7-dihydrodibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 153193709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).