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

C51H39N3 — CID 126699586

IUPAC2-(2,3-diphenylphenyl)-4-phenyl-6-[3-phenyl-5-(4-phenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3cc(C4=NC(c5ccccc5)NC(c5cccc(-c6ccccc6)c5-c5ccccc5)N4)cc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C51H39N3/c1-6-17-36(18-7-1)38-29-31-39(32-30-38)44-33-43(37-19-8-2-9-20-37)34-45(35-44)50-52-49(42-25-14-5-15-26-42)53-51(54-50)47-28-16-27-46(40-21-10-3-11-22-40)48(47)41-23-12-4-13-24-41/h1-35,49,51,53H,(H,52,54)
InChIKeyLXGRZZZFYHQGEM-UHFFFAOYSA-N
MW693.89 g/mol
LogP12.36
Rot. Bonds8

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

2-(2,3-diphenylphenyl)-4-phenyl-6-[3-phenyl-5-(4-phenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 126699586) has the molecular formula C51H39N3 and a molecular weight of 693.89 g/mol. Its IUPAC name is 2-(2,3-diphenylphenyl)-4-phenyl-6-[3-phenyl-5-(4-phenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name2-(2,3-diphenylphenyl)-4-phenyl-6-[3-phenyl-5-(4-phenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID126699586
Molecular FormulaC51H39N3
Molecular Weight693.89 g/mol
Exact Mass693.31
IUPAC Name2-(2,3-diphenylphenyl)-4-phenyl-6-[3-phenyl-5-(4-phenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3cc(C4=NC(c5ccccc5)NC(c5cccc(-c6ccccc6)c5-c5ccccc5)N4)cc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C51H39N3/c1-6-17-36(18-7-1)38-29-31-39(32-30-38)44-33-43(37-19-8-2-9-20-37)34-45(35-44)50-52-49(42-25-14-5-15-26-42)53-51(54-50)47-28-16-27-46(40-21-10-3-11-22-40)48(47)41-23-12-4-13-24-41/h1-35,49,51,53H,(H,52,54)
InChIKeyLXGRZZZFYHQGEM-UHFFFAOYSA-N
XLogP12.36
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.89
LogP ≤ 512.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-diphenylphenyl)-4-phenyl-6-[3-phenyl-5-(4-phenylphenyl)phenyl]-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 2-(2,3-diphenylphenyl)-4-phenyl-6-[3-phenyl-5-(4-phenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 2-(2,3-diphenylphenyl)-4-phenyl-6-[3-phenyl-5-(4-phenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine (CID 126699586) is 2-(2,3-diphenylphenyl)-4-phenyl-6-[3-phenyl-5-(4-phenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 2-(2,3-diphenylphenyl)-4-phenyl-6-[3-phenyl-5-(4-phenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 2-(2,3-diphenylphenyl)-4-phenyl-6-[3-phenyl-5-(4-phenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine is c1ccc(-c2ccc(-c3cc(C4=NC(c5ccccc5)NC(c5cccc(-c6ccccc6)c5-c5ccccc5)N4)cc(-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of 2-(2,3-diphenylphenyl)-4-phenyl-6-[3-phenyl-5-(4-phenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is LXGRZZZFYHQGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H39N3/c1-6-17-36(18-7-1)38-29-31-39(32-30-38)44-33-43(37-19-8-2-9-20-37)34-45(35-44)50-52-49(42-25-14-5-15-26-42)53-51(54-50)47-28-16-27-46(40-21-10-3-11-22-40)48(47)41-23-12-4-13-24-41/h1-35,49,51,53H,(H,52,54).
What are the key properties of 2-(2,3-diphenylphenyl)-4-phenyl-6-[3-phenyl-5-(4-phenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine?
2-(2,3-diphenylphenyl)-4-phenyl-6-[3-phenyl-5-(4-phenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 693.89 g/mol, XLogP of 12.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-diphenylphenyl)-4-phenyl-6-[3-phenyl-5-(4-phenylphenyl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 126699586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).