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

C57H40N3OP — CID 140901969

IUPAC2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)cc4)cc3)cc2)cc1
InChIInChI=1S/C57H40N3OP/c61-62(52-17-9-3-10-18-52,53-19-11-4-12-20-53)54-39-37-48(38-40-54)46-27-25-44(26-28-46)43-21-23-45(24-22-43)47-31-35-51(36-32-47)57-59-55(49-15-7-2-8-16-49)58-56(60-57)50-33-29-42(30-34-50)41-13-5-1-6-14-41/h1-40H
InChIKeyJSPGLTMHSLJBAI-UHFFFAOYSA-N
MW813.94 g/mol
LogP13.18
Rot. Bonds10

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

2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 140901969) has the molecular formula C57H40N3OP and a molecular weight of 813.94 g/mol. Its IUPAC name is 2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID140901969
Molecular FormulaC57H40N3OP
Molecular Weight813.94 g/mol
Exact Mass813.29
IUPAC Name2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)cc4)cc3)cc2)cc1
InChIInChI=1S/C57H40N3OP/c61-62(52-17-9-3-10-18-52,53-19-11-4-12-20-53)54-39-37-48(38-40-54)46-27-25-44(26-28-46)43-21-23-45(24-22-43)47-31-35-51(36-32-47)57-59-55(49-15-7-2-8-16-49)58-56(60-57)50-33-29-42(30-34-50)41-13-5-1-6-14-41/h1-40H
InChIKeyJSPGLTMHSLJBAI-UHFFFAOYSA-N
XLogP13.18
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.94
LogP ≤ 513.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140901948
2-[4-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901945
4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 140901998
2-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 140901916
2,4-bis(3,5-difluorophenyl)-6-[4-(4-diphenylphosphorylphenyl)phenyl]-1,3,5-triazine
CID 138605140
2-[3-(6-diphenylphosphorylnaphthalen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(6-diphenylphosphorylnaphthalen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(4-diphenylphosphorylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 159382370
[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 140901933
2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine
CID 155273418
2-(4-diphenylphosphorylphenyl)-4-(3-fluorophenyl)-6-(4-fluorophenyl)-1,3,5-triazine
CID 138605176
2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901903
1,3-bis(4-diphenylphosphorylphenyl)benzene
CID 102485161
2-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine
CID 138605139

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 140901969) is 2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)cc4)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is JSPGLTMHSLJBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N3OP/c61-62(52-17-9-3-10-18-52,53-19-11-4-12-20-53)54-39-37-48(38-40-54)46-27-25-44(26-28-46)43-21-23-45(24-22-43)47-31-35-51(36-32-47)57-59-55(49-15-7-2-8-16-49)58-56(60-57)50-33-29-42(30-34-50)41-13-5-1-6-14-41/h1-40H.
What are the key properties of 2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 813.94 g/mol, XLogP of 13.18, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 140901969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).