2,6-diphenyl-4-[3-(2,3,4-triphenylphenyl)-5-(2,4,5-triphenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine

C69H51N3 — CID 126699487

IUPAC2,6-diphenyl-4-[3-(2,3,4-triphenylphenyl)-5-(2,4,5-triphenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cc(-c4cc(-c5ccccc5)c(-c5ccccc5)cc4-c4ccccc4)cc(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4-c4ccccc4)c3)NC(c3ccccc3)N2)cc1
InChIInChI=1S/C69H51N3/c1-9-25-48(26-10-1)59-41-42-60(66(53-35-19-6-20-36-53)65(59)52-33-17-5-18-34-52)56-43-57(45-58(44-56)69-71-67(54-37-21-7-22-38-54)70-68(72-69)55-39-23-8-24-40-55)64-47-62(50-29-13-3-14-30-50)61(49-27-11-2-12-28-49)46-63(64)51-31-15-4-16-32-51/h1-47,67,69,71H,(H,70,72)
InChIKeyGDOQATLMAORYLQ-UHFFFAOYSA-N
MW922.19 g/mol
LogP17.36
Rot. Bonds11

About 2,6-diphenyl-4-[3-(2,3,4-triphenylphenyl)-5-(2,4,5-triphenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine

2,6-diphenyl-4-[3-(2,3,4-triphenylphenyl)-5-(2,4,5-triphenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 126699487) has the molecular formula C69H51N3 and a molecular weight of 922.19 g/mol. Its IUPAC name is 2,6-diphenyl-4-[3-(2,3,4-triphenylphenyl)-5-(2,4,5-triphenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name2,6-diphenyl-4-[3-(2,3,4-triphenylphenyl)-5-(2,4,5-triphenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID126699487
Molecular FormulaC69H51N3
Molecular Weight922.19 g/mol
Exact Mass921.41
IUPAC Name2,6-diphenyl-4-[3-(2,3,4-triphenylphenyl)-5-(2,4,5-triphenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cc(-c4cc(-c5ccccc5)c(-c5ccccc5)cc4-c4ccccc4)cc(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4-c4ccccc4)c3)NC(c3ccccc3)N2)cc1
InChIInChI=1S/C69H51N3/c1-9-25-48(26-10-1)59-41-42-60(66(53-35-19-6-20-36-53)65(59)52-33-17-5-18-34-52)56-43-57(45-58(44-56)69-71-67(54-37-21-7-22-38-54)70-68(72-69)55-39-23-8-24-40-55)64-47-62(50-29-13-3-14-30-50)61(49-27-11-2-12-28-49)46-63(64)51-31-15-4-16-32-51/h1-47,67,69,71H,(H,70,72)
InChIKeyGDOQATLMAORYLQ-UHFFFAOYSA-N
XLogP17.36
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.19
LogP ≤ 517.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-4-[3-(2,3,4-triphenylphenyl)-5-(2,4,5-triphenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 2,6-diphenyl-4-[3-(2,3,4-triphenylphenyl)-5-(2,4,5-triphenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine (CID 126699487) is 2,6-diphenyl-4-[3-(2,3,4-triphenylphenyl)-5-(2,4,5-triphenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 2,6-diphenyl-4-[3-(2,3,4-triphenylphenyl)-5-(2,4,5-triphenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 2,6-diphenyl-4-[3-(2,3,4-triphenylphenyl)-5-(2,4,5-triphenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine is c1ccc(C2=NC(c3cc(-c4cc(-c5ccccc5)c(-c5ccccc5)cc4-c4ccccc4)cc(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4-c4ccccc4)c3)NC(c3ccccc3)N2)cc1.
What is the InChIKey of 2,6-diphenyl-4-[3-(2,3,4-triphenylphenyl)-5-(2,4,5-triphenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is GDOQATLMAORYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H51N3/c1-9-25-48(26-10-1)59-41-42-60(66(53-35-19-6-20-36-53)65(59)52-33-17-5-18-34-52)56-43-57(45-58(44-56)69-71-67(54-37-21-7-22-38-54)70-68(72-69)55-39-23-8-24-40-55)64-47-62(50-29-13-3-14-30-50)61(49-27-11-2-12-28-49)46-63(64)51-31-15-4-16-32-51/h1-47,67,69,71H,(H,70,72).
What are the key properties of 2,6-diphenyl-4-[3-(2,3,4-triphenylphenyl)-5-(2,4,5-triphenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine?
2,6-diphenyl-4-[3-(2,3,4-triphenylphenyl)-5-(2,4,5-triphenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 922.19 g/mol, XLogP of 17.36, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-4-[3-(2,3,4-triphenylphenyl)-5-(2,4,5-triphenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 126699487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).