2-[4-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine

C45H28F2N3O2P — CID 138605256

IUPAC2-[4-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cc(-c3nc(-c4ccc(F)cc4)nc(-c4ccc(F)cc4)n3)cc3c2oc2ccccc23)cc1
InChIInChI=1S/C45H28F2N3O2P/c46-33-21-15-30(16-22-33)43-48-44(31-17-23-34(47)24-18-31)50-45(49-43)32-27-39(42-40(28-32)38-13-7-8-14-41(38)52-42)29-19-25-37(26-20-29)53(51,35-9-3-1-4-10-35)36-11-5-2-6-12-36/h1-28H
InChIKeySRASQWWGZWSNGB-UHFFFAOYSA-N
MW711.71 g/mol
LogP10.36
Rot. Bonds7

About 2-[4-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine

2-[4-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine (PubChem CID 138605256) has the molecular formula C45H28F2N3O2P and a molecular weight of 711.71 g/mol. Its IUPAC name is 2-[4-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine
PubChem CID138605256
Molecular FormulaC45H28F2N3O2P
Molecular Weight711.71 g/mol
Exact Mass711.19
IUPAC Name2-[4-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cc(-c3nc(-c4ccc(F)cc4)nc(-c4ccc(F)cc4)n3)cc3c2oc2ccccc23)cc1
InChIInChI=1S/C45H28F2N3O2P/c46-33-21-15-30(16-22-33)43-48-44(31-17-23-34(47)24-18-31)50-45(49-43)32-27-39(42-40(28-32)38-13-7-8-14-41(38)52-42)29-19-25-37(26-20-29)53(51,35-9-3-1-4-10-35)36-11-5-2-6-12-36/h1-28H
InChIKeySRASQWWGZWSNGB-UHFFFAOYSA-N
XLogP10.36
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.71
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-dibenzofuran-4-yl-4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 140901914
2,4-diphenyl-6-[3-phenyl-5-(4-phenyldibenzofuran-2-yl)phenyl]-1,3,5-triazine
CID 146369018
2-dibenzofuran-4-yl-4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 160893267
(1Z,3Z)-1-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-4-phenylbuta-1,3-diene-1,4-diamine
CID 142453060
2-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine
CID 138605139
2-dibenzofuran-1-yl-4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 171416687
1,3-dimethyl-5-[4-[4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one
CID 167485252
2,4-diphenyl-6-[7-[4-(3-phenylphenyl)dibenzofuran-2-yl]dibenzofuran-3-yl]-1,3,5-triazine
CID 170378711
2,4-diphenyl-6-[4-[2-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-4-yl]phenyl]pyrimidine
CID 153289566
2-phenyl-4-[7-(2-phenyldibenzofuran-4-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170378592
2-[4-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901945
2-phenyl-4-[7-(4-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170206765

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine (CID 138605256) is 2-[4-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cc(-c3nc(-c4ccc(F)cc4)nc(-c4ccc(F)cc4)n3)cc3c2oc2ccccc23)cc1.
What is the InChIKey of 2-[4-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine?
The InChIKey is SRASQWWGZWSNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28F2N3O2P/c46-33-21-15-30(16-22-33)43-48-44(31-17-23-34(47)24-18-31)50-45(49-43)32-27-39(42-40(28-32)38-13-7-8-14-41(38)52-42)29-19-25-37(26-20-29)53(51,35-9-3-1-4-10-35)36-11-5-2-6-12-36/h1-28H.
What are the key properties of 2-[4-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine?
2-[4-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine has a molecular weight of 711.71 g/mol, XLogP of 10.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine is sourced from PubChem (CID 138605256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).