2-(3-dibenzotellurophen-3-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine

C39H25N3Te — CID 168740273

IUPAC2-(3-dibenzotellurophen-3-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)[te]c3ccccc34)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C39H25N3Te/c1-4-12-26(13-5-1)30-22-31(29-20-21-34-33-18-10-11-19-35(33)43-36(34)25-29)24-32(23-30)39-41-37(27-14-6-2-7-15-27)40-38(42-39)28-16-8-3-9-17-28/h1-25H
InChIKeyQXFJBOHGLCHDKK-UHFFFAOYSA-N
MW663.25 g/mol
LogP9.57
Rot. Bonds5

About 2-(3-dibenzotellurophen-3-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine

2-(3-dibenzotellurophen-3-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 168740273) has the molecular formula C39H25N3Te and a molecular weight of 663.25 g/mol. Its IUPAC name is 2-(3-dibenzotellurophen-3-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-dibenzotellurophen-3-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
PubChem CID168740273
Molecular FormulaC39H25N3Te
Molecular Weight663.25 g/mol
Exact Mass665.11
IUPAC Name2-(3-dibenzotellurophen-3-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)[te]c3ccccc34)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C39H25N3Te/c1-4-12-26(13-5-1)30-22-31(29-20-21-34-33-18-10-11-19-35(33)43-36(34)25-29)24-32(23-30)39-41-37(27-14-6-2-7-15-27)40-38(42-39)28-16-8-3-9-17-28/h1-25H
InChIKeyQXFJBOHGLCHDKK-UHFFFAOYSA-N
XLogP9.57
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.25
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-dibenzotellurophen-3-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 168739718
2-[3,5-di(triphenylen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129150891
2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4,6-tris[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 162144884
2,4-diphenyl-6-[3-phenyl-5-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 126704955
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943623
2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943296
2,4-diphenyl-6-(3-phenyl-5-triphenylen-2-ylphenyl)-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 159317711
2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118231237
2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 166571456
2-(3,5-diphenylphenyl)-4-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 160680702
2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 122606668
2,4-bis[4-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 166571194

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzotellurophen-3-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(3-dibenzotellurophen-3-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine (CID 168740273) is 2-(3-dibenzotellurophen-3-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(3-dibenzotellurophen-3-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(3-dibenzotellurophen-3-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2cc(-c3ccc4c(c3)[te]c3ccccc34)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 2-(3-dibenzotellurophen-3-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is QXFJBOHGLCHDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3Te/c1-4-12-26(13-5-1)30-22-31(29-20-21-34-33-18-10-11-19-35(33)43-36(34)25-29)24-32(23-30)39-41-37(27-14-6-2-7-15-27)40-38(42-39)28-16-8-3-9-17-28/h1-25H.
What are the key properties of 2-(3-dibenzotellurophen-3-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine?
2-(3-dibenzotellurophen-3-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 663.25 g/mol, XLogP of 9.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-dibenzotellurophen-3-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 168740273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).