2-(4-diphenylphosphorylphenyl)-4-(3-fluorophenyl)-6-(4-fluorophenyl)-1,3,5-triazine

C33H22F2N3OP — CID 138605176

IUPAC2-(4-diphenylphosphorylphenyl)-4-(3-fluorophenyl)-6-(4-fluorophenyl)-1,3,5-triazine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C33H22F2N3OP/c34-26-18-14-23(15-19-26)31-36-32(38-33(37-31)25-8-7-9-27(35)22-25)24-16-20-30(21-17-24)40(39,28-10-3-1-4-11-28)29-12-5-2-6-13-29/h1-22H
InChIKeyBEKDCYJUDYXYHU-UHFFFAOYSA-N
MW545.53 g/mol
LogP6.79
Rot. Bonds6

About 2-(4-diphenylphosphorylphenyl)-4-(3-fluorophenyl)-6-(4-fluorophenyl)-1,3,5-triazine

2-(4-diphenylphosphorylphenyl)-4-(3-fluorophenyl)-6-(4-fluorophenyl)-1,3,5-triazine (PubChem CID 138605176) has the molecular formula C33H22F2N3OP and a molecular weight of 545.53 g/mol. Its IUPAC name is 2-(4-diphenylphosphorylphenyl)-4-(3-fluorophenyl)-6-(4-fluorophenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-diphenylphosphorylphenyl)-4-(3-fluorophenyl)-6-(4-fluorophenyl)-1,3,5-triazine
PubChem CID138605176
Molecular FormulaC33H22F2N3OP
Molecular Weight545.53 g/mol
Exact Mass545.15
IUPAC Name2-(4-diphenylphosphorylphenyl)-4-(3-fluorophenyl)-6-(4-fluorophenyl)-1,3,5-triazine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C33H22F2N3OP/c34-26-18-14-23(15-19-26)31-36-32(38-33(37-31)25-8-7-9-27(35)22-25)24-16-20-30(21-17-24)40(39,28-10-3-1-4-11-28)29-12-5-2-6-13-29/h1-22H
InChIKeyBEKDCYJUDYXYHU-UHFFFAOYSA-N
XLogP6.79
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.53
LogP ≤ 56.79
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-bis(3,5-difluorophenyl)-6-[4-(4-diphenylphosphorylphenyl)phenyl]-1,3,5-triazine
CID 138605140
2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901969
2-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine
CID 138605139
2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140901948
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-(4-diphenylphosphorylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 140901998
2-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 140901916
2-[4-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901945
4-[4-[4-(3-diphenylphosphorylphenyl)naphthalen-1-yl]-6-(4-fluorophenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 138605069
1,3-bis(4-diphenylphosphorylphenyl)benzene
CID 102485161
2,4-bis(4-fluorophenyl)-6-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-bis(4-fluorophenyl)-6-[4-[3-(7-phenylnaphthalen-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-bis(4-fluorophenyl)-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-bis(4-fluorophenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 160510215
2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine
CID 155273418

Frequently Asked Questions

What is the IUPAC name of 2-(4-diphenylphosphorylphenyl)-4-(3-fluorophenyl)-6-(4-fluorophenyl)-1,3,5-triazine?
The IUPAC name of 2-(4-diphenylphosphorylphenyl)-4-(3-fluorophenyl)-6-(4-fluorophenyl)-1,3,5-triazine (CID 138605176) is 2-(4-diphenylphosphorylphenyl)-4-(3-fluorophenyl)-6-(4-fluorophenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-diphenylphosphorylphenyl)-4-(3-fluorophenyl)-6-(4-fluorophenyl)-1,3,5-triazine?
The canonical SMILES for 2-(4-diphenylphosphorylphenyl)-4-(3-fluorophenyl)-6-(4-fluorophenyl)-1,3,5-triazine is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3cccc(F)c3)n2)cc1.
What is the InChIKey of 2-(4-diphenylphosphorylphenyl)-4-(3-fluorophenyl)-6-(4-fluorophenyl)-1,3,5-triazine?
The InChIKey is BEKDCYJUDYXYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22F2N3OP/c34-26-18-14-23(15-19-26)31-36-32(38-33(37-31)25-8-7-9-27(35)22-25)24-16-20-30(21-17-24)40(39,28-10-3-1-4-11-28)29-12-5-2-6-13-29/h1-22H.
What are the key properties of 2-(4-diphenylphosphorylphenyl)-4-(3-fluorophenyl)-6-(4-fluorophenyl)-1,3,5-triazine?
2-(4-diphenylphosphorylphenyl)-4-(3-fluorophenyl)-6-(4-fluorophenyl)-1,3,5-triazine has a molecular weight of 545.53 g/mol, XLogP of 6.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-diphenylphosphorylphenyl)-4-(3-fluorophenyl)-6-(4-fluorophenyl)-1,3,5-triazine is sourced from PubChem (CID 138605176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).