2-[3-[6-(3-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine

C56H39N4OP — CID 146020024

IUPAC2-[3-[6-(3-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc(-c2cccc(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3)n2)c1
InChIInChI=1S/C56H39N4OP/c61-62(49-23-9-3-10-24-49,50-25-11-4-12-26-50)51-27-14-21-47(39-51)53-29-15-28-52(57-53)46-20-13-22-48(38-46)56-59-54(44-34-30-42(31-35-44)40-16-5-1-6-17-40)58-55(60-56)45-36-32-43(33-37-45)41-18-7-2-8-19-41/h1-39H
InChIKeyRVYIJPFSMODOHR-UHFFFAOYSA-N
MW814.93 g/mol
LogP12.57
Rot. Bonds10

About 2-[3-[6-(3-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine

2-[3-[6-(3-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (PubChem CID 146020024) has the molecular formula C56H39N4OP and a molecular weight of 814.93 g/mol. Its IUPAC name is 2-[3-[6-(3-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[6-(3-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
PubChem CID146020024
Molecular FormulaC56H39N4OP
Molecular Weight814.93 g/mol
Exact Mass814.29
IUPAC Name2-[3-[6-(3-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc(-c2cccc(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3)n2)c1
InChIInChI=1S/C56H39N4OP/c61-62(49-23-9-3-10-24-49,50-25-11-4-12-26-50)51-27-14-21-47(39-51)53-29-15-28-52(57-53)46-20-13-22-48(38-46)56-59-54(44-34-30-42(31-35-44)40-16-5-1-6-17-40)58-55(60-56)45-36-32-43(33-37-45)41-18-7-2-8-19-41/h1-39H
InChIKeyRVYIJPFSMODOHR-UHFFFAOYSA-N
XLogP12.57
TPSA68.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.93
LogP ≤ 512.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(3-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3-[6-(3-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (CID 146020024) is 2-[3-[6-(3-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3-[6-(3-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3-[6-(3-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2cccc(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3)n2)c1.
What is the InChIKey of 2-[3-[6-(3-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is RVYIJPFSMODOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N4OP/c61-62(49-23-9-3-10-24-49,50-25-11-4-12-26-50)51-27-14-21-47(39-51)53-29-15-28-52(57-53)46-20-13-22-48(38-46)56-59-54(44-34-30-42(31-35-44)40-16-5-1-6-17-40)58-55(60-56)45-36-32-43(33-37-45)41-18-7-2-8-19-41/h1-39H.
What are the key properties of 2-[3-[6-(3-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
2-[3-[6-(3-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 814.93 g/mol, XLogP of 12.57, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(3-diphenylphosphorylphenyl)-2-pyridinyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 146020024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).