2-[4-[2-[3-(4-dimethylphosphorylphenyl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-4-(4-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine

C60H50N3OP — CID 176628600

About 2-[4-[2-[3-(4-dimethylphosphorylphenyl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-4-(4-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine

2-[4-[2-[3-(4-dimethylphosphorylphenyl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-4-(4-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 176628600) has the molecular formula C60H50N3OP and a molecular weight of 860.05 g/mol. Its IUPAC name is 2-[4-[2-[3-(4-dimethylphosphorylphenyl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-4-(4-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[4-[2-[3-(4-dimethylphosphorylphenyl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-4-(4-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
• PubChem CID: 176628600
• Molecular Formula: C60H50N3OP
• Molecular Weight: 860.05 g/mol
• Exact Mass: 859.37
• IUPAC Name: 2-[4-[2-[3-(4-dimethylphosphorylphenyl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-4-(4-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
• SMILES: CP(C)(=O)c1ccc(-c2cccc(C3(c4ccc(-c5nc(-c6ccc(-c7ccccc7)cc6)nc(-c6ccc(-c7ccccc7-c7ccccc7)cc6)n5)cc4)CC4CCC3C4)c2)cc1
• InChI: InChI=1S/C60H50N3OP/c1-65(2,64)54-36-31-44(32-37-54)50-16-11-17-52(39-50)60(40-41-20-33-53(60)38-41)51-34-29-49(30-35-51)59-62-57(47-25-21-43(22-26-47)42-12-5-3-6-13-42)61-58(63-59)48-27-23-46(24-28-48)56-19-10-9-18-55(56)45-14-7-4-8-15-45/h3-19,21-32,34-37,39,41,53H,20,33,38,40H2,1-2H3
• InChIKey: QMIONAMZFOONLY-UHFFFAOYSA-N
• XLogP: 14.89
• TPSA: 55.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	860.05
LogP ≤ 5	14.89
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-[2-[3-(4-dimethylphosphorylphenyl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-4-(4-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine?

The IUPAC name of 2-[4-[2-[3-(4-dimethylphosphorylphenyl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-4-(4-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine (CID 176628600) is 2-[4-[2-[3-(4-dimethylphosphorylphenyl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-4-(4-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine.

What is the SMILES notation for 2-[4-[2-[3-(4-dimethylphosphorylphenyl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-4-(4-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine?

The canonical SMILES for 2-[4-[2-[3-(4-dimethylphosphorylphenyl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-4-(4-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine is CP(C)(=O)c1ccc(-c2cccc(C3(c4ccc(-c5nc(-c6ccc(-c7ccccc7)cc6)nc(-c6ccc(-c7ccccc7-c7ccccc7)cc6)n5)cc4)CC4CCC3C4)c2)cc1.

What is the InChIKey of 2-[4-[2-[3-(4-dimethylphosphorylphenyl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-4-(4-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine?

The InChIKey is QMIONAMZFOONLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H50N3OP/c1-65(2,64)54-36-31-44(32-37-54)50-16-11-17-52(39-50)60(40-41-20-33-53(60)38-41)51-34-29-49(30-35-51)59-62-57(47-25-21-43(22-26-47)42-12-5-3-6-13-42)61-58(63-59)48-27-23-46(24-28-48)56-19-10-9-18-55(56)45-14-7-4-8-15-45/h3-19,21-32,34-37,39,41,53H,20,33,38,40H2,1-2H3.

What are the key properties of 2-[4-[2-[3-(4-dimethylphosphorylphenyl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-4-(4-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine?

2-[4-[2-[3-(4-dimethylphosphorylphenyl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-4-(4-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 860.05 g/mol, XLogP of 14.89, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[3-(4-dimethylphosphorylphenyl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-4-(4-phenylphenyl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 176628600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).