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

C39H24F4N3OP — CID 138605140

IUPAC2,4-bis(3,5-difluorophenyl)-6-[4-(4-diphenylphosphorylphenyl)phenyl]-1,3,5-triazine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3nc(-c4cc(F)cc(F)c4)nc(-c4cc(F)cc(F)c4)n3)cc2)cc1
InChIInChI=1S/C39H24F4N3OP/c40-30-19-28(20-31(41)23-30)38-44-37(45-39(46-38)29-21-32(42)24-33(43)22-29)27-13-11-25(12-14-27)26-15-17-36(18-16-26)48(47,34-7-3-1-4-8-34)35-9-5-2-6-10-35/h1-24H
InChIKeyQTXWNLQCCIWHCI-UHFFFAOYSA-N
MW657.61 g/mol
LogP8.74
Rot. Bonds7

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

2,4-bis(3,5-difluorophenyl)-6-[4-(4-diphenylphosphorylphenyl)phenyl]-1,3,5-triazine (PubChem CID 138605140) has the molecular formula C39H24F4N3OP and a molecular weight of 657.61 g/mol. Its IUPAC name is 2,4-bis(3,5-difluorophenyl)-6-[4-(4-diphenylphosphorylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(3,5-difluorophenyl)-6-[4-(4-diphenylphosphorylphenyl)phenyl]-1,3,5-triazine
PubChem CID138605140
Molecular FormulaC39H24F4N3OP
Molecular Weight657.61 g/mol
Exact Mass657.16
IUPAC Name2,4-bis(3,5-difluorophenyl)-6-[4-(4-diphenylphosphorylphenyl)phenyl]-1,3,5-triazine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3nc(-c4cc(F)cc(F)c4)nc(-c4cc(F)cc(F)c4)n3)cc2)cc1
InChIInChI=1S/C39H24F4N3OP/c40-30-19-28(20-31(41)23-30)38-44-37(45-39(46-38)29-21-32(42)24-33(43)22-29)27-13-11-25(12-14-27)26-15-17-36(18-16-26)48(47,34-7-3-1-4-8-34)35-9-5-2-6-10-35/h1-24H
InChIKeyQTXWNLQCCIWHCI-UHFFFAOYSA-N
XLogP8.74
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.61
LogP ≤ 58.74
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-diphenylphosphorylphenyl)-4-(3-fluorophenyl)-6-(4-fluorophenyl)-1,3,5-triazine
CID 138605176
2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901969
2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140901948
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-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine
CID 138605139
2-[4-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901945
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
2-[4-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine
CID 138605256
2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine
CID 155273418
[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 140901933
1,3-bis(4-diphenylphosphorylphenyl)benzene
CID 102485161

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3,5-difluorophenyl)-6-[4-(4-diphenylphosphorylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-bis(3,5-difluorophenyl)-6-[4-(4-diphenylphosphorylphenyl)phenyl]-1,3,5-triazine (CID 138605140) is 2,4-bis(3,5-difluorophenyl)-6-[4-(4-diphenylphosphorylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(3,5-difluorophenyl)-6-[4-(4-diphenylphosphorylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-bis(3,5-difluorophenyl)-6-[4-(4-diphenylphosphorylphenyl)phenyl]-1,3,5-triazine is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2ccc(-c3nc(-c4cc(F)cc(F)c4)nc(-c4cc(F)cc(F)c4)n3)cc2)cc1.
What is the InChIKey of 2,4-bis(3,5-difluorophenyl)-6-[4-(4-diphenylphosphorylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is QTXWNLQCCIWHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24F4N3OP/c40-30-19-28(20-31(41)23-30)38-44-37(45-39(46-38)29-21-32(42)24-33(43)22-29)27-13-11-25(12-14-27)26-15-17-36(18-16-26)48(47,34-7-3-1-4-8-34)35-9-5-2-6-10-35/h1-24H.
What are the key properties of 2,4-bis(3,5-difluorophenyl)-6-[4-(4-diphenylphosphorylphenyl)phenyl]-1,3,5-triazine?
2,4-bis(3,5-difluorophenyl)-6-[4-(4-diphenylphosphorylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 657.61 g/mol, XLogP of 8.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3,5-difluorophenyl)-6-[4-(4-diphenylphosphorylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 138605140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).