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

C57H43N3 — CID 126699486

IUPAC4-[3-(2,5-diphenylphenyl)-5-(2,6-diphenylphenyl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cc(-c4cc(-c5ccccc5)ccc4-c4ccccc4)cc(-c4c(-c5ccccc5)cccc4-c4ccccc4)c3)NC(c3ccccc3)N2)cc1
InChIInChI=1S/C57H43N3/c1-7-20-40(21-8-1)46-34-35-50(41-22-9-2-10-23-41)53(39-46)47-36-48(54-51(42-24-11-3-12-25-42)32-19-33-52(54)43-26-13-4-14-27-43)38-49(37-47)57-59-55(44-28-15-5-16-29-44)58-56(60-57)45-30-17-6-18-31-45/h1-39,55,57,59H,(H,58,60)
InChIKeyBTDSYQOVVSCFNO-UHFFFAOYSA-N
MW769.99 g/mol
LogP14.03
Rot. Bonds9

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

4-[3-(2,5-diphenylphenyl)-5-(2,6-diphenylphenyl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 126699486) has the molecular formula C57H43N3 and a molecular weight of 769.99 g/mol. Its IUPAC name is 4-[3-(2,5-diphenylphenyl)-5-(2,6-diphenylphenyl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name4-[3-(2,5-diphenylphenyl)-5-(2,6-diphenylphenyl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID126699486
Molecular FormulaC57H43N3
Molecular Weight769.99 g/mol
Exact Mass769.35
IUPAC Name4-[3-(2,5-diphenylphenyl)-5-(2,6-diphenylphenyl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cc(-c4cc(-c5ccccc5)ccc4-c4ccccc4)cc(-c4c(-c5ccccc5)cccc4-c4ccccc4)c3)NC(c3ccccc3)N2)cc1
InChIInChI=1S/C57H43N3/c1-7-20-40(21-8-1)46-34-35-50(41-22-9-2-10-23-41)53(39-46)47-36-48(54-51(42-24-11-3-12-25-42)32-19-33-52(54)43-26-13-4-14-27-43)38-49(37-47)57-59-55(44-28-15-5-16-29-44)58-56(60-57)45-30-17-6-18-31-45/h1-39,55,57,59H,(H,58,60)
InChIKeyBTDSYQOVVSCFNO-UHFFFAOYSA-N
XLogP14.03
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.99
LogP ≤ 514.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[3-(2,5-diphenylphenyl)-5-(2,6-diphenylphenyl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,5-diphenylphenyl)-5-(2,6-diphenylphenyl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 4-[3-(2,5-diphenylphenyl)-5-(2,6-diphenylphenyl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine (CID 126699486) is 4-[3-(2,5-diphenylphenyl)-5-(2,6-diphenylphenyl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 4-[3-(2,5-diphenylphenyl)-5-(2,6-diphenylphenyl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 4-[3-(2,5-diphenylphenyl)-5-(2,6-diphenylphenyl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine is c1ccc(C2=NC(c3cc(-c4cc(-c5ccccc5)ccc4-c4ccccc4)cc(-c4c(-c5ccccc5)cccc4-c4ccccc4)c3)NC(c3ccccc3)N2)cc1.
What is the InChIKey of 4-[3-(2,5-diphenylphenyl)-5-(2,6-diphenylphenyl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is BTDSYQOVVSCFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43N3/c1-7-20-40(21-8-1)46-34-35-50(41-22-9-2-10-23-41)53(39-46)47-36-48(54-51(42-24-11-3-12-25-42)32-19-33-52(54)43-26-13-4-14-27-43)38-49(37-47)57-59-55(44-28-15-5-16-29-44)58-56(60-57)45-30-17-6-18-31-45/h1-39,55,57,59H,(H,58,60).
What are the key properties of 4-[3-(2,5-diphenylphenyl)-5-(2,6-diphenylphenyl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
4-[3-(2,5-diphenylphenyl)-5-(2,6-diphenylphenyl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 769.99 g/mol, XLogP of 14.03, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,5-diphenylphenyl)-5-(2,6-diphenylphenyl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 126699486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).