2-[4-[1-[4-(4-dimethylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-(3-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine

C59H50N3OP — CID 176628622

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

2-[4-[1-[4-(4-dimethylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-(3-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 176628622) has the molecular formula C59H50N3OP and a molecular weight of 848.04 g/mol. Its IUPAC name is 2-[4-[1-[4-(4-dimethylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-(3-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[4-[1-[4-(4-dimethylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-(3-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
• PubChem CID: 176628622
• Molecular Formula: C59H50N3OP
• Molecular Weight: 848.04 g/mol
• Exact Mass: 847.37
• IUPAC Name: 2-[4-[1-[4-(4-dimethylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-(3-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
• SMILES: CP(C)(=O)c1ccc(-c2ccc(C3(c4ccc(-c5nc(-c6ccc(-c7ccccc7-c7ccccc7)cc6)nc(-c6cccc(-c7ccccc7)c6)n5)cc4)CCCCC3)cc2)cc1
• InChI: InChI=1S/C59H50N3OP/c1-64(2,63)53-37-31-44(32-38-53)43-27-33-51(34-28-43)59(39-12-5-13-40-59)52-35-29-48(30-36-52)57-60-56(61-58(62-57)50-20-14-19-49(41-50)42-15-6-3-7-16-42)47-25-23-46(24-26-47)55-22-11-10-21-54(55)45-17-8-4-9-18-45/h3-4,6-11,14-38,41H,5,12-13,39-40H2,1-2H3
• InChIKey: LIQAMYLXMUERFS-UHFFFAOYSA-N
• XLogP: 15.04
• TPSA: 55.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	848.04
LogP ≤ 5	15.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[4-(4-dimethylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-(3-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine?

The IUPAC name of 2-[4-[1-[4-(4-dimethylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-(3-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine (CID 176628622) is 2-[4-[1-[4-(4-dimethylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-(3-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine.

What is the SMILES notation for 2-[4-[1-[4-(4-dimethylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-(3-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine?

The canonical SMILES for 2-[4-[1-[4-(4-dimethylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-(3-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine is CP(C)(=O)c1ccc(-c2ccc(C3(c4ccc(-c5nc(-c6ccc(-c7ccccc7-c7ccccc7)cc6)nc(-c6cccc(-c7ccccc7)c6)n5)cc4)CCCCC3)cc2)cc1.

What is the InChIKey of 2-[4-[1-[4-(4-dimethylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-(3-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine?

The InChIKey is LIQAMYLXMUERFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H50N3OP/c1-64(2,63)53-37-31-44(32-38-53)43-27-33-51(34-28-43)59(39-12-5-13-40-59)52-35-29-48(30-36-52)57-60-56(61-58(62-57)50-20-14-19-49(41-50)42-15-6-3-7-16-42)47-25-23-46(24-26-47)55-22-11-10-21-54(55)45-17-8-4-9-18-45/h3-4,6-11,14-38,41H,5,12-13,39-40H2,1-2H3.

What are the key properties of 2-[4-[1-[4-(4-dimethylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-(3-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine?

2-[4-[1-[4-(4-dimethylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-(3-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 848.04 g/mol, XLogP of 15.04, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[1-[4-(4-dimethylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-(3-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 176628622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).