2-dibenzofuran-4-yl-4-(4-fluorophenyl)-6-phenanthren-4-yl-1,3,5-triazine

C35H20FN3O — CID 169278749

IUPAC2-dibenzofuran-4-yl-4-(4-fluorophenyl)-6-phenanthren-4-yl-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4ccc5ccccc5c34)n2)cc1
InChIInChI=1S/C35H20FN3O/c36-24-19-17-23(18-20-24)33-37-34(28-12-5-8-22-16-15-21-7-1-2-9-25(21)31(22)28)39-35(38-33)29-13-6-11-27-26-10-3-4-14-30(26)40-32(27)29/h1-20H
InChIKeyZMEDYZSVCIWMBQ-UHFFFAOYSA-N
MW517.56 g/mol
LogP9.22
Rot. Bonds3

About 2-dibenzofuran-4-yl-4-(4-fluorophenyl)-6-phenanthren-4-yl-1,3,5-triazine

2-dibenzofuran-4-yl-4-(4-fluorophenyl)-6-phenanthren-4-yl-1,3,5-triazine (PubChem CID 169278749) has the molecular formula C35H20FN3O and a molecular weight of 517.56 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(4-fluorophenyl)-6-phenanthren-4-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-(4-fluorophenyl)-6-phenanthren-4-yl-1,3,5-triazine
PubChem CID169278749
Molecular FormulaC35H20FN3O
Molecular Weight517.56 g/mol
Exact Mass517.16
IUPAC Name2-dibenzofuran-4-yl-4-(4-fluorophenyl)-6-phenanthren-4-yl-1,3,5-triazine
SMILESFc1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4ccc5ccccc5c34)n2)cc1
InChIInChI=1S/C35H20FN3O/c36-24-19-17-23(18-20-24)33-37-34(28-12-5-8-22-16-15-21-7-1-2-9-25(21)31(22)28)39-35(38-33)29-13-6-11-27-26-10-3-4-14-30(26)40-32(27)29/h1-20H
InChIKeyZMEDYZSVCIWMBQ-UHFFFAOYSA-N
XLogP9.22
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.56
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tert-butylphenyl)-4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazine
CID 169278969
2-dibenzofuran-2-yl-4-dibenzofuran-4-yl-6-(4-phenanthren-4-ylphenyl)-1,3,5-triazine
CID 169278757
2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(2-phenylphenyl)-1,3,5-triazine
CID 169278868
8-[4-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 169278852
2,4-di(dibenzofuran-4-yl)-6-(3-phenanthren-4-ylphenyl)-1,3,5-triazine
CID 169278664
2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine
CID 169278592
2-(4-cyclohexylphenyl)-4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazine
CID 169278789
2-dibenzofuran-2-yl-4-phenanthren-4-yl-6-phenyl-1,3,5-triazine
CID 169278620
2-dibenzofuran-4-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741551
2-dibenzofuran-4-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168731919
5-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)quinoline
CID 169278618
2-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)quinoline
CID 169278746

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-(4-fluorophenyl)-6-phenanthren-4-yl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-(4-fluorophenyl)-6-phenanthren-4-yl-1,3,5-triazine (CID 169278749) is 2-dibenzofuran-4-yl-4-(4-fluorophenyl)-6-phenanthren-4-yl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-(4-fluorophenyl)-6-phenanthren-4-yl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-(4-fluorophenyl)-6-phenanthren-4-yl-1,3,5-triazine is Fc1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4ccc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-(4-fluorophenyl)-6-phenanthren-4-yl-1,3,5-triazine?
The InChIKey is ZMEDYZSVCIWMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20FN3O/c36-24-19-17-23(18-20-24)33-37-34(28-12-5-8-22-16-15-21-7-1-2-9-25(21)31(22)28)39-35(38-33)29-13-6-11-27-26-10-3-4-14-30(26)40-32(27)29/h1-20H.
What are the key properties of 2-dibenzofuran-4-yl-4-(4-fluorophenyl)-6-phenanthren-4-yl-1,3,5-triazine?
2-dibenzofuran-4-yl-4-(4-fluorophenyl)-6-phenanthren-4-yl-1,3,5-triazine has a molecular weight of 517.56 g/mol, XLogP of 9.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-(4-fluorophenyl)-6-phenanthren-4-yl-1,3,5-triazine is sourced from PubChem (CID 169278749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).