2-(4-fluorophenyl)-4-(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine

C45H28FN3 — CID 118545357

IUPAC2-(4-fluorophenyl)-4-(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/C45H28FN3/c46-36-23-20-30(21-24-36)43-47-44(34-14-8-12-31(26-34)29-10-2-1-3-11-29)49-45(48-43)35-15-9-13-32(27-35)33-22-25-41-39-18-5-4-16-37(39)38-17-6-7-19-40(38)42(41)28-33/h1-28H
InChIKeyVIVBWWSAABSAAL-UHFFFAOYSA-N
MW629.74 g/mol
LogP11.81
Rot. Bonds5

About 2-(4-fluorophenyl)-4-(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine

2-(4-fluorophenyl)-4-(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine (PubChem CID 118545357) has the molecular formula C45H28FN3 and a molecular weight of 629.74 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
PubChem CID118545357
Molecular FormulaC45H28FN3
Molecular Weight629.74 g/mol
Exact Mass629.23
IUPAC Name2-(4-fluorophenyl)-4-(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/C45H28FN3/c46-36-23-20-30(21-24-36)43-47-44(34-14-8-12-31(26-34)29-10-2-1-3-11-29)49-45(48-43)35-15-9-13-32(27-35)33-22-25-41-39-18-5-4-16-37(39)38-17-6-7-19-40(38)42(41)28-33/h1-28H
InChIKeyVIVBWWSAABSAAL-UHFFFAOYSA-N
XLogP11.81
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.74
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(4-fluorophenyl)-4-(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine (CID 118545357) is 2-(4-fluorophenyl)-4-(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(4-fluorophenyl)-4-(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine is Fc1ccc(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)n2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine?
The InChIKey is VIVBWWSAABSAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28FN3/c46-36-23-20-30(21-24-36)43-47-44(34-14-8-12-31(26-34)29-10-2-1-3-11-29)49-45(48-43)35-15-9-13-32(27-35)33-22-25-41-39-18-5-4-16-37(39)38-17-6-7-19-40(38)42(41)28-33/h1-28H.
What are the key properties of 2-(4-fluorophenyl)-4-(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine?
2-(4-fluorophenyl)-4-(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine has a molecular weight of 629.74 g/mol, XLogP of 11.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 118545357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).