2-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine

C47H30F2N3OP — CID 138605139

IUPAC2-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2c3ccccc3c(-c3nc(-c4ccc(F)cc4)nc(-c4ccc(F)cc4)n3)c3ccccc23)cc1
InChIInChI=1S/C47H30F2N3OP/c48-34-25-19-32(20-26-34)45-50-46(33-21-27-35(49)28-22-33)52-47(51-45)44-41-17-9-7-15-39(41)43(40-16-8-10-18-42(40)44)31-23-29-38(30-24-31)54(53,36-11-3-1-4-12-36)37-13-5-2-6-14-37/h1-30H
InChIKeyPPYQRHDCRUFPPH-UHFFFAOYSA-N
MW721.75 g/mol
LogP10.76
Rot. Bonds7

About 2-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine

2-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine (PubChem CID 138605139) has the molecular formula C47H30F2N3OP and a molecular weight of 721.75 g/mol. Its IUPAC name is 2-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine
PubChem CID138605139
Molecular FormulaC47H30F2N3OP
Molecular Weight721.75 g/mol
Exact Mass721.21
IUPAC Name2-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2c3ccccc3c(-c3nc(-c4ccc(F)cc4)nc(-c4ccc(F)cc4)n3)c3ccccc23)cc1
InChIInChI=1S/C47H30F2N3OP/c48-34-25-19-32(20-26-34)45-50-46(33-21-27-35(49)28-22-33)52-47(51-45)44-41-17-9-7-15-39(41)43(40-16-8-10-18-42(40)44)31-23-29-38(30-24-31)54(53,36-11-3-1-4-12-36)37-13-5-2-6-14-37/h1-30H
InChIKeyPPYQRHDCRUFPPH-UHFFFAOYSA-N
XLogP10.76
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.75
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-diphenylphosphorylphenyl)-4-(3-fluorophenyl)-6-(4-fluorophenyl)-1,3,5-triazine
CID 138605176
9-phenyl-10-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]anthracene
CID 166031061
2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901969
2,4-bis(3,5-difluorophenyl)-6-[4-(4-diphenylphosphorylphenyl)phenyl]-1,3,5-triazine
CID 138605140
2-[4-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901945
2,4-diphenyl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine
CID 58454367
9-anthracen-9-yl-10-(4-diphenylphosphorylphenyl)anthracene
CID 122597792
2-[4-(4-diphenylphosphorylphenyl)dibenzofuran-2-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine
CID 138605256
4-[4-[4-(3-diphenylphosphorylphenyl)naphthalen-1-yl]-6-(4-fluorophenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 138605069
2-(10-diphenylphosphorylanthracen-9-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 58233332
2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140901948
2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901903

Frequently Asked Questions

What is the IUPAC name of 2-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine?
The IUPAC name of 2-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine (CID 138605139) is 2-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine?
The canonical SMILES for 2-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2c3ccccc3c(-c3nc(-c4ccc(F)cc4)nc(-c4ccc(F)cc4)n3)c3ccccc23)cc1.
What is the InChIKey of 2-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine?
The InChIKey is PPYQRHDCRUFPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30F2N3OP/c48-34-25-19-32(20-26-34)45-50-46(33-21-27-35(49)28-22-33)52-47(51-45)44-41-17-9-7-15-39(41)43(40-16-8-10-18-42(40)44)31-23-29-38(30-24-31)54(53,36-11-3-1-4-12-36)37-13-5-2-6-14-37/h1-30H.
What are the key properties of 2-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine?
2-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine has a molecular weight of 721.75 g/mol, XLogP of 10.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(4-diphenylphosphorylphenyl)anthracen-9-yl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine is sourced from PubChem (CID 138605139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).