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

C70H54N3OP — CID 176628617

About 2-[4-[2-[4-[10-(4-dimethylphosphorylphenyl)anthracen-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-(4-dimethylphosphorylphenyl)anthracen-9-yl]phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-4-phenyl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine (PubChem CID 176628617) has the molecular formula C70H54N3OP and a molecular weight of 984.20 g/mol. Its IUPAC name is 2-[4-[2-[4-[10-(4-dimethylphosphorylphenyl)anthracen-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-(4-dimethylphosphorylphenyl)anthracen-9-yl]phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-4-phenyl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine
• PubChem CID: 176628617
• Molecular Formula: C70H54N3OP
• Molecular Weight: 984.20 g/mol
• Exact Mass: 983.40
• IUPAC Name: 2-[4-[2-[4-[10-(4-dimethylphosphorylphenyl)anthracen-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)c1ccc(-c2c3ccccc3c(-c3ccc(C4(c5ccc(-c6nc(-c7ccccc7)nc(-c7c8ccccc8c(-c8ccccc8)c8ccccc78)n6)cc5)CC5CCC4C5)cc3)c3ccccc23)cc1
• InChI: InChI=1S/C70H54N3OP/c1-75(2,74)54-41-34-48(35-42-54)65-57-23-11-9-21-55(57)64(56-22-10-12-24-58(56)65)47-30-37-51(38-31-47)70(44-45-29-36-53(70)43-45)52-39-32-50(33-40-52)68-71-67(49-19-7-4-8-20-49)72-69(73-68)66-61-27-15-13-25-59(61)63(46-17-5-3-6-18-46)60-26-14-16-28-62(60)66/h3-28,30-35,37-42,45,53H,29,36,43-44H2,1-2H3
• InChIKey: NHWXLQAFQFTJGE-UHFFFAOYSA-N
• XLogP: 17.84
• TPSA: 55.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	984.20
LogP ≤ 5	17.84
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-(4-dimethylphosphorylphenyl)anthracen-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-(4-dimethylphosphorylphenyl)anthracen-9-yl]phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-4-phenyl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine (CID 176628617) is 2-[4-[2-[4-[10-(4-dimethylphosphorylphenyl)anthracen-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-(4-dimethylphosphorylphenyl)anthracen-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-(4-dimethylphosphorylphenyl)anthracen-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)c1ccc(-c2c3ccccc3c(-c3ccc(C4(c5ccc(-c6nc(-c7ccccc7)nc(-c7c8ccccc8c(-c8ccccc8)c8ccccc78)n6)cc5)CC5CCC4C5)cc3)c3ccccc23)cc1.

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

The InChIKey is NHWXLQAFQFTJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H54N3OP/c1-75(2,74)54-41-34-48(35-42-54)65-57-23-11-9-21-55(57)64(56-22-10-12-24-58(56)65)47-30-37-51(38-31-47)70(44-45-29-36-53(70)43-45)52-39-32-50(33-40-52)68-71-67(49-19-7-4-8-20-49)72-69(73-68)66-61-27-15-13-25-59(61)63(46-17-5-3-6-18-46)60-26-14-16-28-62(60)66/h3-28,30-35,37-42,45,53H,29,36,43-44H2,1-2H3.

What are the key properties of 2-[4-[2-[4-[10-(4-dimethylphosphorylphenyl)anthracen-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-(4-dimethylphosphorylphenyl)anthracen-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 984.20 g/mol, XLogP of 17.84, 9 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-(4-dimethylphosphorylphenyl)anthracen-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 176628617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).