2-[4-[1-[4-(10-diphenylphosphorylanthracen-9-yl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine

C71H54N3OP — CID 176628635

About 2-[4-[1-[4-(10-diphenylphosphorylanthracen-9-yl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine

2-[4-[1-[4-(10-diphenylphosphorylanthracen-9-yl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 176628635) has the molecular formula C71H54N3OP and a molecular weight of 996.21 g/mol. Its IUPAC name is 2-[4-[1-[4-(10-diphenylphosphorylanthracen-9-yl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[4-[1-[4-(10-diphenylphosphorylanthracen-9-yl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
• PubChem CID: 176628635
• Molecular Formula: C71H54N3OP
• Molecular Weight: 996.21 g/mol
• Exact Mass: 995.40
• IUPAC Name: 2-[4-[1-[4-(10-diphenylphosphorylanthracen-9-yl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
• SMILES: O=P(c1ccccc1)(c1ccccc1)c1c2ccccc2c(-c2ccc(C3(c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)n5)cc4)CCCCC3)cc2)c2ccccc12
• InChI: InChI=1S/C71H54N3OP/c75-76(60-24-10-3-11-25-60,61-26-12-4-13-27-61)67-64-30-16-14-28-62(64)66(63-29-15-17-31-65(63)67)54-40-44-58(45-41-54)71(48-18-5-19-49-71)59-46-42-57(43-47-59)70-73-68(55-22-8-2-9-23-55)72-69(74-70)56-38-36-53(37-39-56)52-34-32-51(33-35-52)50-20-6-1-7-21-50/h1-4,6-17,20-47H,5,18-19,48-49H2
• InChIKey: FIILDZGJLKUWJP-UHFFFAOYSA-N
• XLogP: 17.07
• TPSA: 55.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	996.21
LogP ≤ 5	17.07
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-[1-[4-(10-diphenylphosphorylanthracen-9-yl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine?

The IUPAC name of 2-[4-[1-[4-(10-diphenylphosphorylanthracen-9-yl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine (CID 176628635) is 2-[4-[1-[4-(10-diphenylphosphorylanthracen-9-yl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine.

What is the SMILES notation for 2-[4-[1-[4-(10-diphenylphosphorylanthracen-9-yl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine?

The canonical SMILES for 2-[4-[1-[4-(10-diphenylphosphorylanthracen-9-yl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine is O=P(c1ccccc1)(c1ccccc1)c1c2ccccc2c(-c2ccc(C3(c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)n5)cc4)CCCCC3)cc2)c2ccccc12.

What is the InChIKey of 2-[4-[1-[4-(10-diphenylphosphorylanthracen-9-yl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine?

The InChIKey is FIILDZGJLKUWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H54N3OP/c75-76(60-24-10-3-11-25-60,61-26-12-4-13-27-61)67-64-30-16-14-28-62(64)66(63-29-15-17-31-65(63)67)54-40-44-58(45-41-54)71(48-18-5-19-49-71)59-46-42-57(43-47-59)70-73-68(55-22-8-2-9-23-55)72-69(74-70)56-38-36-53(37-39-56)52-34-32-51(33-35-52)50-20-6-1-7-21-50/h1-4,6-17,20-47H,5,18-19,48-49H2.

What are the key properties of 2-[4-[1-[4-(10-diphenylphosphorylanthracen-9-yl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine?

2-[4-[1-[4-(10-diphenylphosphorylanthracen-9-yl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 996.21 g/mol, XLogP of 17.07, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[1-[4-(10-diphenylphosphorylanthracen-9-yl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 176628635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).