2-[4-[2-[4-(10-dimethylphosphorylanthracen-9-yl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-4-phenyl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine

C64H50N3OP — CID 176628527

About 2-[4-[2-[4-(10-dimethylphosphorylanthracen-9-yl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-4-phenyl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine

2-[4-[2-[4-(10-dimethylphosphorylanthracen-9-yl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-4-phenyl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine (PubChem CID 176628527) has the molecular formula C64H50N3OP and a molecular weight of 908.10 g/mol. Its IUPAC name is 2-[4-[2-[4-(10-dimethylphosphorylanthracen-9-yl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-4-phenyl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[4-[2-[4-(10-dimethylphosphorylanthracen-9-yl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-4-phenyl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine
• PubChem CID: 176628527
• Molecular Formula: C64H50N3OP
• Molecular Weight: 908.10 g/mol
• Exact Mass: 907.37
• IUPAC Name: 2-[4-[2-[4-(10-dimethylphosphorylanthracen-9-yl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-4-phenyl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine
• SMILES: CP(C)(=O)c1c2ccccc2c(-c2ccc(C3(c4ccc(-c5nc(-c6ccccc6)nc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)n5)cc4)CC4CCC3C4)cc2)c2ccccc12
• InChI: InChI=1S/C64H50N3OP/c1-69(2,68)60-55-27-15-13-25-53(55)58(54-26-14-16-28-56(54)60)43-30-35-46(36-31-43)64(40-41-29-34-48(64)39-41)47-37-32-45(33-38-47)62-65-61(44-19-7-4-8-20-44)66-63(67-62)59-51-23-11-9-21-49(51)57(42-17-5-3-6-18-42)50-22-10-12-24-52(50)59/h3-28,30-33,35-38,41,48H,29,34,39-40H2,1-2H3
• InChIKey: MQGSTAOCVJAIMY-UHFFFAOYSA-N
• XLogP: 16.17
• TPSA: 55.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	908.10
LogP ≤ 5	16.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(10-dimethylphosphorylanthracen-9-yl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-4-phenyl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine?

The IUPAC name of 2-[4-[2-[4-(10-dimethylphosphorylanthracen-9-yl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-4-phenyl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine (CID 176628527) is 2-[4-[2-[4-(10-dimethylphosphorylanthracen-9-yl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-4-phenyl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine.

What is the SMILES notation for 2-[4-[2-[4-(10-dimethylphosphorylanthracen-9-yl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-4-phenyl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine?

The canonical SMILES for 2-[4-[2-[4-(10-dimethylphosphorylanthracen-9-yl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-4-phenyl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine is CP(C)(=O)c1c2ccccc2c(-c2ccc(C3(c4ccc(-c5nc(-c6ccccc6)nc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)n5)cc4)CC4CCC3C4)cc2)c2ccccc12.

What is the InChIKey of 2-[4-[2-[4-(10-dimethylphosphorylanthracen-9-yl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-4-phenyl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine?

The InChIKey is MQGSTAOCVJAIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H50N3OP/c1-69(2,68)60-55-27-15-13-25-53(55)58(54-26-14-16-28-56(54)60)43-30-35-46(36-31-43)64(40-41-29-34-48(64)39-41)47-37-32-45(33-38-47)62-65-61(44-19-7-4-8-20-44)66-63(67-62)59-51-23-11-9-21-49(51)57(42-17-5-3-6-18-42)50-22-10-12-24-52(50)59/h3-28,30-33,35-38,41,48H,29,34,39-40H2,1-2H3.

What are the key properties of 2-[4-[2-[4-(10-dimethylphosphorylanthracen-9-yl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-4-phenyl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine?

2-[4-[2-[4-(10-dimethylphosphorylanthracen-9-yl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-4-phenyl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine has a molecular weight of 908.10 g/mol, XLogP of 16.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[4-(10-dimethylphosphorylanthracen-9-yl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-4-phenyl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine is sourced from PubChem (CID 176628527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).