2,4,6-tris(2,3-diphenylphenyl)-1,3,5-triazine

C57H39N3 — CID 171052343

IUPAC2,4,6-tris(2,3-diphenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4-c4ccccc4)n3)c2-c2ccccc2)cc1
InChIInChI=1S/C57H39N3/c1-7-22-40(23-8-1)46-34-19-37-49(52(46)43-28-13-4-14-29-43)55-58-56(50-38-20-35-47(41-24-9-2-10-25-41)53(50)44-30-15-5-16-31-44)60-57(59-55)51-39-21-36-48(42-26-11-3-12-27-42)54(51)45-32-17-6-18-33-45/h1-39H
InChIKeySXUYTWMUQVIXMA-UHFFFAOYSA-N
MW765.96 g/mol
LogP14.87
Rot. Bonds9

About 2,4,6-tris(2,3-diphenylphenyl)-1,3,5-triazine

2,4,6-tris(2,3-diphenylphenyl)-1,3,5-triazine (PubChem CID 171052343) has the molecular formula C57H39N3 and a molecular weight of 765.96 g/mol. Its IUPAC name is 2,4,6-tris(2,3-diphenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(2,3-diphenylphenyl)-1,3,5-triazine
PubChem CID171052343
Molecular FormulaC57H39N3
Molecular Weight765.96 g/mol
Exact Mass765.31
IUPAC Name2,4,6-tris(2,3-diphenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4-c4ccccc4)n3)c2-c2ccccc2)cc1
InChIInChI=1S/C57H39N3/c1-7-22-40(23-8-1)46-34-19-37-49(52(46)43-28-13-4-14-29-43)55-58-56(50-38-20-35-47(41-24-9-2-10-25-41)53(50)44-30-15-5-16-31-44)60-57(59-55)51-39-21-36-48(42-26-11-3-12-27-42)54(51)45-32-17-6-18-33-45/h1-39H
InChIKeySXUYTWMUQVIXMA-UHFFFAOYSA-N
XLogP14.87
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.96
LogP ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171052479
2-(2,3-diphenylphenyl)-4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052585
2-(2,3-diphenylphenyl)-4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052416
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 122423525
2-(2,3-diphenylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297111
2-(2,3-diphenylphenyl)-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297385
2-(4-naphthalen-2-ylphenyl)-4-(2-naphthalen-2-yl-3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297135
2-[6-(2,3-diphenylphenyl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297196
2-[3-naphthalen-1-yl-2-(4-phenylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297409
4-[4-[4-[4-(2,3-diphenylphenyl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169297243
2,4-di(dibenzofuran-4-yl)-6-(2,3,4-triphenylphenyl)-1,3,5-triazine
CID 167349521
4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-amine
CID 165048378

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(2,3-diphenylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(2,3-diphenylphenyl)-1,3,5-triazine (CID 171052343) is 2,4,6-tris(2,3-diphenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(2,3-diphenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(2,3-diphenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4-c4ccccc4)n3)c2-c2ccccc2)cc1.
What is the InChIKey of 2,4,6-tris(2,3-diphenylphenyl)-1,3,5-triazine?
The InChIKey is SXUYTWMUQVIXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N3/c1-7-22-40(23-8-1)46-34-19-37-49(52(46)43-28-13-4-14-29-43)55-58-56(50-38-20-35-47(41-24-9-2-10-25-41)53(50)44-30-15-5-16-31-44)60-57(59-55)51-39-21-36-48(42-26-11-3-12-27-42)54(51)45-32-17-6-18-33-45/h1-39H.
What are the key properties of 2,4,6-tris(2,3-diphenylphenyl)-1,3,5-triazine?
2,4,6-tris(2,3-diphenylphenyl)-1,3,5-triazine has a molecular weight of 765.96 g/mol, XLogP of 14.87, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(2,3-diphenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 171052343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).