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

C57H39N3 — CID 171052464

IUPAC2,4,6-tris(2,4-diphenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)n3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C57H39N3/c1-7-19-40(20-8-1)46-31-34-49(52(37-46)43-25-13-4-14-26-43)55-58-56(50-35-32-47(41-21-9-2-10-22-41)38-53(50)44-27-15-5-16-28-44)60-57(59-55)51-36-33-48(42-23-11-3-12-24-42)39-54(51)45-29-17-6-18-30-45/h1-39H
InChIKeyBKFJXSSFPLYVGC-UHFFFAOYSA-N
MW765.96 g/mol
LogP14.87
Rot. Bonds9

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

2,4,6-tris(2,4-diphenylphenyl)-1,3,5-triazine (PubChem CID 171052464) has the molecular formula C57H39N3 and a molecular weight of 765.96 g/mol. Its IUPAC name is 2,4,6-tris(2,4-diphenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(2,4-diphenylphenyl)-1,3,5-triazine
PubChem CID171052464
Molecular FormulaC57H39N3
Molecular Weight765.96 g/mol
Exact Mass765.31
IUPAC Name2,4,6-tris(2,4-diphenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)n3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C57H39N3/c1-7-19-40(20-8-1)46-31-34-49(52(37-46)43-25-13-4-14-26-43)55-58-56(50-35-32-47(41-21-9-2-10-22-41)38-53(50)44-27-15-5-16-28-44)60-57(59-55)51-36-33-48(42-23-11-3-12-24-42)39-54(51)45-29-17-6-18-30-45/h1-39H
InChIKeyBKFJXSSFPLYVGC-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-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052536
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052556
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052413
2-(2,5-diphenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171052509
2-chloro-4-(2,4-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 123986773
2-(2,5-diphenylphenyl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 171052399
2-(2,5-diphenylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 171052590
2-(2,5-diphenylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171052606
2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052347
2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052309
11-phenylnonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2(48),3,5(47),6(46),7,9(45),10,12,14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,43-tetracosaene
CID 135036112
1,2,4-triphenylbenzene
CID 518325

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(2,4-diphenylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(2,4-diphenylphenyl)-1,3,5-triazine (CID 171052464) is 2,4,6-tris(2,4-diphenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(2,4-diphenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(2,4-diphenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4-c4ccccc4)n3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 2,4,6-tris(2,4-diphenylphenyl)-1,3,5-triazine?
The InChIKey is BKFJXSSFPLYVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N3/c1-7-19-40(20-8-1)46-31-34-49(52(37-46)43-25-13-4-14-26-43)55-58-56(50-35-32-47(41-21-9-2-10-22-41)38-53(50)44-27-15-5-16-28-44)60-57(59-55)51-36-33-48(42-23-11-3-12-24-42)39-54(51)45-29-17-6-18-30-45/h1-39H.
What are the key properties of 2,4,6-tris(2,4-diphenylphenyl)-1,3,5-triazine?
2,4,6-tris(2,4-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(2,4-diphenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 171052464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).