2-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)quinoline

C38H22N4O — CID 169278746

IUPAC2-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)quinoline
SMILESc1ccc2nc(-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5ccc6ccccc6c45)n3)ccc2c1
InChIInChI=1S/C38H22N4O/c1-3-12-26-23(9-1)19-20-25-11-7-15-29(34(25)26)36-40-37(30-16-8-14-28-27-13-4-6-18-33(27)43-35(28)30)42-38(41-36)32-22-21-24-10-2-5-17-31(24)39-32/h1-22H
InChIKeyHZXUEBGITUQHDZ-UHFFFAOYSA-N
MW550.62 g/mol
LogP9.63
Rot. Bonds3

About 2-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)quinoline

2-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)quinoline (PubChem CID 169278746) has the molecular formula C38H22N4O and a molecular weight of 550.62 g/mol. Its IUPAC name is 2-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)quinoline.

Molecular Properties

Compound Name2-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)quinoline
PubChem CID169278746
Molecular FormulaC38H22N4O
Molecular Weight550.62 g/mol
Exact Mass550.18
IUPAC Name2-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)quinoline
SMILESc1ccc2nc(-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5ccc6ccccc6c45)n3)ccc2c1
InChIInChI=1S/C38H22N4O/c1-3-12-26-23(9-1)19-20-25-11-7-15-29(34(25)26)36-40-37(30-16-8-14-28-27-13-4-6-18-33(27)43-35(28)30)42-38(41-36)32-22-21-24-10-2-5-17-31(24)39-32/h1-22H
InChIKeyHZXUEBGITUQHDZ-UHFFFAOYSA-N
XLogP9.63
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.62
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)quinoline
CID 169278618
2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(2-phenylphenyl)-1,3,5-triazine
CID 169278868
2-dibenzofuran-4-yl-4-(4-fluorophenyl)-6-phenanthren-4-yl-1,3,5-triazine
CID 169278749
2,4-di(dibenzofuran-4-yl)-6-(3-phenanthren-4-ylphenyl)-1,3,5-triazine
CID 169278664
2,4,6-tris(naphtho[1,2-b][1]benzofuran-1-yl)-1,3,5-triazine
CID 146658795
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
8-[4-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 169278852
2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine
CID 169278592
2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenanthren-4-yl-1,3,5-triazine
CID 169278835
2-[3-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]phenyl]quinoline
CID 129133236
2-[4-dibenzofuran-1-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]quinoline
CID 174301395

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)quinoline?
The IUPAC name of 2-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)quinoline (CID 169278746) is 2-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)quinoline.
What is the SMILES notation for 2-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)quinoline?
The canonical SMILES for 2-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)quinoline is c1ccc2nc(-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5ccc6ccccc6c45)n3)ccc2c1.
What is the InChIKey of 2-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)quinoline?
The InChIKey is HZXUEBGITUQHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4O/c1-3-12-26-23(9-1)19-20-25-11-7-15-29(34(25)26)36-40-37(30-16-8-14-28-27-13-4-6-18-33(27)43-35(28)30)42-38(41-36)32-22-21-24-10-2-5-17-31(24)39-32/h1-22H.
What are the key properties of 2-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)quinoline?
2-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)quinoline has a molecular weight of 550.62 g/mol, XLogP of 9.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)quinoline is sourced from PubChem (CID 169278746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).