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

C61H48N3OP — CID 176628692

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

2-[4-[1-[4-(3-diphenylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 176628692) has the molecular formula C61H48N3OP and a molecular weight of 870.05 g/mol. Its IUPAC name is 2-[4-[1-[4-(3-diphenylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[4-[1-[4-(3-diphenylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
• PubChem CID: 176628692
• Molecular Formula: C61H48N3OP
• Molecular Weight: 870.05 g/mol
• Exact Mass: 869.35
• IUPAC Name: 2-[4-[1-[4-(3-diphenylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
• SMILES: O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2ccc(C3(c4ccc(-c5nc(-c6ccc(-c7ccccc7)cc6)nc(-c6ccc7ccccc7c6)n5)cc4)CCCCC3)cc2)c1
• InChI: InChI=1S/C61H48N3OP/c65-66(55-21-7-2-8-22-55,56-23-9-3-10-24-56)57-25-15-20-51(43-57)47-32-36-53(37-33-47)61(40-13-4-14-41-61)54-38-34-49(35-39-54)59-62-58(48-29-26-46(27-30-48)44-16-5-1-6-17-44)63-60(64-59)52-31-28-45-18-11-12-19-50(45)42-52/h1-3,5-12,15-39,42-43H,4,13-14,40-41H2
• InChIKey: UJGPUIQNCOBXSP-UHFFFAOYSA-N
• XLogP: 14.25
• TPSA: 55.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	870.05
LogP ≤ 5	14.25
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-(3-diphenylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-[4-[1-[4-(3-diphenylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine (CID 176628692) is 2-[4-[1-[4-(3-diphenylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine.

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

The canonical SMILES for 2-[4-[1-[4-(3-diphenylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine is O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2ccc(C3(c4ccc(-c5nc(-c6ccc(-c7ccccc7)cc6)nc(-c6ccc7ccccc7c6)n5)cc4)CCCCC3)cc2)c1.

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

The InChIKey is UJGPUIQNCOBXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H48N3OP/c65-66(55-21-7-2-8-22-55,56-23-9-3-10-24-56)57-25-15-20-51(43-57)47-32-36-53(37-33-47)61(40-13-4-14-41-61)54-38-34-49(35-39-54)59-62-58(48-29-26-46(27-30-48)44-16-5-1-6-17-44)63-60(64-59)52-31-28-45-18-11-12-19-50(45)42-52/h1-3,5-12,15-39,42-43H,4,13-14,40-41H2.

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

2-[4-[1-[4-(3-diphenylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 870.05 g/mol, XLogP of 14.25, 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-(3-diphenylphosphorylphenyl)phenyl]cyclohexyl]phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 176628692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).