4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-(1-phenyldibenzoselenophen-2-yl)triazine

C111H71N9OSSe — CID 175594593

IUPAC4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-(1-phenyldibenzoselenophen-2-yl)triazine
SMILESc1ccc(-c2nnnc(-c3ccc4[se]c5ccccc5c4c3-c3ccccc3)c2-c2ccccc2)cc1.c1ccc(-c2nnnc(-c3ccccc3-c3ccccc3-c3cccc4oc5ccccc5c34)c2-c2ccccc2)cc1.c1ccc(-c2nnnc(-c3ccccc3-c3ccccc3-c3cccc4sc5ccccc5c34)c2-c2ccccc2)cc1
InChIInChI=1S/C39H25N3O.C39H25N3S.C33H21N3Se/c2*1-3-14-26(15-4-1)36-38(27-16-5-2-6-17-27)40-42-41-39(36)32-21-10-9-20-30(32)28-18-7-8-19-29(28)31-23-13-25-35-37(31)33-22-11-12-24-34(33)43-35;1-4-12-22(13-5-1)29-26(20-21-28-31(29)25-18-10-11-19-27(25)37-28)33-30(23-14-6-2-7-15-23)32(34-36-35-33)24-16-8-3-9-17-24/h2*1-25H;1-21H
InChIKeyOQYIBYVGMZXLRU-UHFFFAOYSA-N
MW1657.88 g/mol
LogP28.58
Rot. Bonds14

About 4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-(1-phenyldibenzoselenophen-2-yl)triazine

4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-(1-phenyldibenzoselenophen-2-yl)triazine (PubChem CID 175594593) has the molecular formula C111H71N9OSSe and a molecular weight of 1657.88 g/mol. Its IUPAC name is 4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-(1-phenyldibenzoselenophen-2-yl)triazine.

Molecular Properties

Compound Name4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-(1-phenyldibenzoselenophen-2-yl)triazine
PubChem CID175594593
Molecular FormulaC111H71N9OSSe
Molecular Weight1657.88 g/mol
Exact Mass1657.47
IUPAC Name4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-(1-phenyldibenzoselenophen-2-yl)triazine
SMILESc1ccc(-c2nnnc(-c3ccc4[se]c5ccccc5c4c3-c3ccccc3)c2-c2ccccc2)cc1.c1ccc(-c2nnnc(-c3ccccc3-c3ccccc3-c3cccc4oc5ccccc5c34)c2-c2ccccc2)cc1.c1ccc(-c2nnnc(-c3ccccc3-c3ccccc3-c3cccc4sc5ccccc5c34)c2-c2ccccc2)cc1
InChIInChI=1S/C39H25N3O.C39H25N3S.C33H21N3Se/c2*1-3-14-26(15-4-1)36-38(27-16-5-2-6-17-27)40-42-41-39(36)32-21-10-9-20-30(32)28-18-7-8-19-29(28)31-23-13-25-35-37(31)33-22-11-12-24-34(33)43-35;1-4-12-22(13-5-1)29-26(20-21-28-31(29)25-18-10-11-19-27(25)37-28)33-30(23-14-6-2-7-15-23)32(34-36-35-33)24-16-8-3-9-17-24/h2*1-25H;1-21H
InChIKeyOQYIBYVGMZXLRU-UHFFFAOYSA-N
XLogP28.58
TPSA129.15 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001657.88
LogP ≤ 528.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-(1-phenyldibenzoselenophen-2-yl)triazine with MolForge

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Related Compounds

4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine
CID 175594594
4,5-diphenyl-6-[2-(1-phenyldibenzothiophen-2-yl)phenyl]triazine
CID 166135108
4-phenyl-6-(1-phenyldibenzoselenophen-2-yl)-5-(2-phenylphenyl)triazine
CID 166133463
4-[2-dibenzothiophen-1-yl-3-(2-phenylphenyl)phenyl]-5-phenyl-6-(2-phenylphenyl)triazine
CID 166133514
4-phenyl-6-[2-(1-phenyldibenzoselenophen-2-yl)phenyl]-5-(3-phenyl-2-pyridinyl)triazine
CID 166135058
5-phenyl-4-(2-phenylphenyl)-6-[3-phenyl-6-(2-phenylphenyl)-2-[2-(2-phenylphenyl)dibenzoselenophen-1-yl]phenyl]triazine
CID 175828137
5-dibenzofuran-1-yl-4,6-diphenyltriazine
CID 175810934
4,5-diphenyl-6-[2-(2-phenylphenyl)dibenzothiophen-1-yl]triazine
CID 166133527
4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine
CID 172700237
4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine
CID 166134551
4-phenyl-5-(2-phenylphenyl)-6-[1-(2-phenylphenyl)dibenzofuran-2-yl]triazine
CID 166133631
3-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-2-phenylbenzonitrile
CID 146355638

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-(1-phenyldibenzoselenophen-2-yl)triazine?
The IUPAC name of 4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-(1-phenyldibenzoselenophen-2-yl)triazine (CID 175594593) is 4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-(1-phenyldibenzoselenophen-2-yl)triazine.
What is the SMILES notation for 4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-(1-phenyldibenzoselenophen-2-yl)triazine?
The canonical SMILES for 4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-(1-phenyldibenzoselenophen-2-yl)triazine is c1ccc(-c2nnnc(-c3ccc4[se]c5ccccc5c4c3-c3ccccc3)c2-c2ccccc2)cc1.c1ccc(-c2nnnc(-c3ccccc3-c3ccccc3-c3cccc4oc5ccccc5c34)c2-c2ccccc2)cc1.c1ccc(-c2nnnc(-c3ccccc3-c3ccccc3-c3cccc4sc5ccccc5c34)c2-c2ccccc2)cc1.
What is the InChIKey of 4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-(1-phenyldibenzoselenophen-2-yl)triazine?
The InChIKey is OQYIBYVGMZXLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3O.C39H25N3S.C33H21N3Se/c2*1-3-14-26(15-4-1)36-38(27-16-5-2-6-17-27)40-42-41-39(36)32-21-10-9-20-30(32)28-18-7-8-19-29(28)31-23-13-25-35-37(31)33-22-11-12-24-34(33)43-35;1-4-12-22(13-5-1)29-26(20-21-28-31(29)25-18-10-11-19-27(25)37-28)33-30(23-14-6-2-7-15-23)32(34-36-35-33)24-16-8-3-9-17-24/h2*1-25H;1-21H.
What are the key properties of 4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-(1-phenyldibenzoselenophen-2-yl)triazine?
4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-(1-phenyldibenzoselenophen-2-yl)triazine has a molecular weight of 1657.88 g/mol, XLogP of 28.58, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-(1-phenyldibenzoselenophen-2-yl)triazine is sourced from PubChem (CID 175594593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).