2-dibenzofuran-2-yl-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine

C35H21N3O — CID 176617028

IUPAC2-dibenzofuran-2-yl-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4ccc5ccccc5c4c3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C35H21N3O/c1-2-9-24(10-3-1)33-36-34(25-17-16-23-15-14-22-8-4-5-11-27(22)29(23)20-25)38-35(37-33)26-18-19-32-30(21-26)28-12-6-7-13-31(28)39-32/h1-21H
InChIKeyQAALWOQNDYLICU-UHFFFAOYSA-N
MW499.57 g/mol
LogP9.08
Rot. Bonds3

About 2-dibenzofuran-2-yl-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine

2-dibenzofuran-2-yl-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine (PubChem CID 176617028) has the molecular formula C35H21N3O and a molecular weight of 499.57 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
PubChem CID176617028
Molecular FormulaC35H21N3O
Molecular Weight499.57 g/mol
Exact Mass499.17
IUPAC Name2-dibenzofuran-2-yl-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4ccc5ccccc5c4c3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C35H21N3O/c1-2-9-24(10-3-1)33-36-34(25-17-16-23-15-14-22-8-4-5-11-27(22)29(23)20-25)38-35(37-33)26-18-19-32-30(21-26)28-12-6-7-13-31(28)39-32/h1-21H
InChIKeyQAALWOQNDYLICU-UHFFFAOYSA-N
XLogP9.08
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.57
LogP ≤ 59.08
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-dibenzofuran-2-yl-4-phenyl-6-picen-3-yl-1,3,5-triazine
CID 167087578
2,4-di(chrysen-3-yl)-6-dibenzofuran-2-yl-1,3,5-triazine
CID 158404878
2-phenanthren-3-yl-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 176616809
2-chrysen-2-yl-4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176851515
2-(9-dibenzofuran-2-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 166743660
2-(8-naphthalen-2-yldibenzofuran-2-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 176616795
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837493
2-(7-dibenzofuran-3-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953288
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138729915
2-chrysen-2-yl-4-naphtho[2,1-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine
CID 168739839
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 177119766
2-dibenzofuran-2-yl-4-phenanthren-4-yl-6-phenyl-1,3,5-triazine
CID 169278620

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-2-yl-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine (CID 176617028) is 2-dibenzofuran-2-yl-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4ccc5ccccc5c4c3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine?
The InChIKey is QAALWOQNDYLICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N3O/c1-2-9-24(10-3-1)33-36-34(25-17-16-23-15-14-22-8-4-5-11-27(22)29(23)20-25)38-35(37-33)26-18-19-32-30(21-26)28-12-6-7-13-31(28)39-32/h1-21H.
What are the key properties of 2-dibenzofuran-2-yl-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine?
2-dibenzofuran-2-yl-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine has a molecular weight of 499.57 g/mol, XLogP of 9.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 176617028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).