4-(2-dibenzofuran-1-yl-3,6-diphenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine

C51H33N3O — CID 166134711

IUPAC4-(2-dibenzofuran-1-yl-3,6-diphenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)nnnc2-c2c(-c3ccccc3)ccc(-c3ccccc3)c2-c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C51H33N3O/c1-5-18-34(19-6-1)38-26-13-14-27-41(38)49-50(37-24-11-4-12-25-37)52-54-53-51(49)48-40(36-22-9-3-10-23-36)33-32-39(35-20-7-2-8-21-35)47(48)43-29-17-31-45-46(43)42-28-15-16-30-44(42)55-45/h1-33H
InChIKeyVLRKPVVBSZXADA-UHFFFAOYSA-N
MW703.85 g/mol
LogP13.44
Rot. Bonds7

About 4-(2-dibenzofuran-1-yl-3,6-diphenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine

4-(2-dibenzofuran-1-yl-3,6-diphenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine (PubChem CID 166134711) has the molecular formula C51H33N3O and a molecular weight of 703.85 g/mol. Its IUPAC name is 4-(2-dibenzofuran-1-yl-3,6-diphenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine.

Molecular Properties

Compound Name4-(2-dibenzofuran-1-yl-3,6-diphenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine
PubChem CID166134711
Molecular FormulaC51H33N3O
Molecular Weight703.85 g/mol
Exact Mass703.26
IUPAC Name4-(2-dibenzofuran-1-yl-3,6-diphenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine
SMILESc1ccc(-c2ccccc2-c2c(-c3ccccc3)nnnc2-c2c(-c3ccccc3)ccc(-c3ccccc3)c2-c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C51H33N3O/c1-5-18-34(19-6-1)38-26-13-14-27-41(38)49-50(37-24-11-4-12-25-37)52-54-53-51(49)48-40(36-22-9-3-10-23-36)33-32-39(35-20-7-2-8-21-35)47(48)43-29-17-31-45-46(43)42-28-15-16-30-44(42)55-45/h1-33H
InChIKeyVLRKPVVBSZXADA-UHFFFAOYSA-N
XLogP13.44
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.85
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-dibenzofuran-1-yl-6-phenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine
CID 166134431
5-dibenzofuran-1-yl-4,6-diphenyltriazine
CID 175810934
4-phenyl-5-(2-phenylphenyl)-6-[1-(2-phenylphenyl)dibenzofuran-2-yl]triazine
CID 166133631
4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine
CID 175594594
1-[2-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)triazin-5-yl]-3,6-diphenylphenyl]-9H-carbazole
CID 166134969
1-[1,2,3,4,5,6,7,8-octamethyl-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 167347086
1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]-3-phenylphenyl]-9H-carbazole
CID 166134015
4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine
CID 166134551
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-phenyl-6-(2-phenyldibenzofuran-1-yl)phenyl]triazine
CID 166134822
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
1-[3-(2-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran
CID 156553354
4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)dibenzothiophen-1-yl]triazine
CID 166134291

Frequently Asked Questions

What is the IUPAC name of 4-(2-dibenzofuran-1-yl-3,6-diphenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine?
The IUPAC name of 4-(2-dibenzofuran-1-yl-3,6-diphenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine (CID 166134711) is 4-(2-dibenzofuran-1-yl-3,6-diphenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine.
What is the SMILES notation for 4-(2-dibenzofuran-1-yl-3,6-diphenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine?
The canonical SMILES for 4-(2-dibenzofuran-1-yl-3,6-diphenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine is c1ccc(-c2ccccc2-c2c(-c3ccccc3)nnnc2-c2c(-c3ccccc3)ccc(-c3ccccc3)c2-c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of 4-(2-dibenzofuran-1-yl-3,6-diphenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine?
The InChIKey is VLRKPVVBSZXADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3O/c1-5-18-34(19-6-1)38-26-13-14-27-41(38)49-50(37-24-11-4-12-25-37)52-54-53-51(49)48-40(36-22-9-3-10-23-36)33-32-39(35-20-7-2-8-21-35)47(48)43-29-17-31-45-46(43)42-28-15-16-30-44(42)55-45/h1-33H.
What are the key properties of 4-(2-dibenzofuran-1-yl-3,6-diphenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine?
4-(2-dibenzofuran-1-yl-3,6-diphenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine has a molecular weight of 703.85 g/mol, XLogP of 13.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-dibenzofuran-1-yl-3,6-diphenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine is sourced from PubChem (CID 166134711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).