2,4,6-tris(5-phenyl-2-pyrazol-1-ylphenyl)-1,3,5-triazine

C48H33N9 — CID 174727426

IUPAC2,4,6-tris(5-phenyl-2-pyrazol-1-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-n3cccn3)c(-c3nc(-c4cc(-c5ccccc5)ccc4-n4cccn4)nc(-c4cc(-c5ccccc5)ccc4-n4cccn4)n3)c2)cc1
InChIInChI=1S/C48H33N9/c1-4-13-34(14-5-1)37-19-22-43(55-28-10-25-49-55)40(31-37)46-52-47(41-32-38(35-15-6-2-7-16-35)20-23-44(41)56-29-11-26-50-56)54-48(53-46)42-33-39(36-17-8-3-9-18-36)21-24-45(42)57-30-12-27-51-57/h1-33H
InChIKeyJCEIBKYVCGWOCX-UHFFFAOYSA-N
MW735.86 g/mol
LogP10.43
Rot. Bonds9

About 2,4,6-tris(5-phenyl-2-pyrazol-1-ylphenyl)-1,3,5-triazine

2,4,6-tris(5-phenyl-2-pyrazol-1-ylphenyl)-1,3,5-triazine (PubChem CID 174727426) has the molecular formula C48H33N9 and a molecular weight of 735.86 g/mol. Its IUPAC name is 2,4,6-tris(5-phenyl-2-pyrazol-1-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-tris(5-phenyl-2-pyrazol-1-ylphenyl)-1,3,5-triazine
PubChem CID174727426
Molecular FormulaC48H33N9
Molecular Weight735.86 g/mol
Exact Mass735.29
IUPAC Name2,4,6-tris(5-phenyl-2-pyrazol-1-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-n3cccn3)c(-c3nc(-c4cc(-c5ccccc5)ccc4-n4cccn4)nc(-c4cc(-c5ccccc5)ccc4-n4cccn4)n3)c2)cc1
InChIInChI=1S/C48H33N9/c1-4-13-34(14-5-1)37-19-22-43(55-28-10-25-49-55)40(31-37)46-52-47(41-32-38(35-15-6-2-7-16-35)20-23-44(41)56-29-11-26-50-56)54-48(53-46)42-33-39(36-17-8-3-9-18-36)21-24-45(42)57-30-12-27-51-57/h1-33H
InChIKeyJCEIBKYVCGWOCX-UHFFFAOYSA-N
XLogP10.43
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.86
LogP ≤ 510.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2,4,6-tris(2,4-diphenylphenyl)-1,3,5-triazine
CID 171052464
2-(2,5-diphenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171052509
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-fluorophenyl)phenyl]carbazole
CID 138549730
2-(2,5-diphenylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 171052590
9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylcarbazole
CID 137414844
2-(2,5-diphenylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171052606
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052536
2-(2-chloro-5-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 175256430
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052556
2-(2-fluoro-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 146415001
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 137414597
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 137421138

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(5-phenyl-2-pyrazol-1-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4,6-tris(5-phenyl-2-pyrazol-1-ylphenyl)-1,3,5-triazine (CID 174727426) is 2,4,6-tris(5-phenyl-2-pyrazol-1-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4,6-tris(5-phenyl-2-pyrazol-1-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4,6-tris(5-phenyl-2-pyrazol-1-ylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-n3cccn3)c(-c3nc(-c4cc(-c5ccccc5)ccc4-n4cccn4)nc(-c4cc(-c5ccccc5)ccc4-n4cccn4)n3)c2)cc1.
What is the InChIKey of 2,4,6-tris(5-phenyl-2-pyrazol-1-ylphenyl)-1,3,5-triazine?
The InChIKey is JCEIBKYVCGWOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N9/c1-4-13-34(14-5-1)37-19-22-43(55-28-10-25-49-55)40(31-37)46-52-47(41-32-38(35-15-6-2-7-16-35)20-23-44(41)56-29-11-26-50-56)54-48(53-46)42-33-39(36-17-8-3-9-18-36)21-24-45(42)57-30-12-27-51-57/h1-33H.
What are the key properties of 2,4,6-tris(5-phenyl-2-pyrazol-1-ylphenyl)-1,3,5-triazine?
2,4,6-tris(5-phenyl-2-pyrazol-1-ylphenyl)-1,3,5-triazine has a molecular weight of 735.86 g/mol, XLogP of 10.43, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(5-phenyl-2-pyrazol-1-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 174727426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).