3-[4-dibenzofuran-4-yl-6-(3-phenanthren-4-ylphenyl)-1,3,5-triazin-2-yl]-1,10-phenanthroline

C47H27N5O — CID 169278727

IUPAC3-[4-dibenzofuran-4-yl-6-(3-phenanthren-4-ylphenyl)-1,3,5-triazin-2-yl]-1,10-phenanthroline
SMILESc1cc(-c2nc(-c3cnc4c(ccc5cccnc54)c3)nc(-c3cccc4c3oc3ccccc34)n2)cc(-c2cccc3ccc4ccccc4c23)c1
InChIInChI=1S/C47H27N5O/c1-2-14-35-28(9-1)20-21-29-10-6-16-36(41(29)35)31-11-5-12-33(25-31)45-50-46(34-26-32-23-22-30-13-8-24-48-42(30)43(32)49-27-34)52-47(51-45)39-18-7-17-38-37-15-3-4-19-40(37)53-44(38)39/h1-27H
InChIKeyFXVGRQHHXDBMQK-UHFFFAOYSA-N
MW677.77 g/mol
LogP11.84
Rot. Bonds4

About 3-[4-dibenzofuran-4-yl-6-(3-phenanthren-4-ylphenyl)-1,3,5-triazin-2-yl]-1,10-phenanthroline

3-[4-dibenzofuran-4-yl-6-(3-phenanthren-4-ylphenyl)-1,3,5-triazin-2-yl]-1,10-phenanthroline (PubChem CID 169278727) has the molecular formula C47H27N5O and a molecular weight of 677.77 g/mol. Its IUPAC name is 3-[4-dibenzofuran-4-yl-6-(3-phenanthren-4-ylphenyl)-1,3,5-triazin-2-yl]-1,10-phenanthroline.

Molecular Properties

Compound Name3-[4-dibenzofuran-4-yl-6-(3-phenanthren-4-ylphenyl)-1,3,5-triazin-2-yl]-1,10-phenanthroline
PubChem CID169278727
Molecular FormulaC47H27N5O
Molecular Weight677.77 g/mol
Exact Mass677.22
IUPAC Name3-[4-dibenzofuran-4-yl-6-(3-phenanthren-4-ylphenyl)-1,3,5-triazin-2-yl]-1,10-phenanthroline
SMILESc1cc(-c2nc(-c3cnc4c(ccc5cccnc54)c3)nc(-c3cccc4c3oc3ccccc34)n2)cc(-c2cccc3ccc4ccccc4c23)c1
InChIInChI=1S/C47H27N5O/c1-2-14-35-28(9-1)20-21-29-10-6-16-36(41(29)35)31-11-5-12-33(25-31)45-50-46(34-26-32-23-22-30-13-8-24-48-42(30)43(32)49-27-34)52-47(51-45)39-18-7-17-38-37-15-3-4-19-40(37)53-44(38)39/h1-27H
InChIKeyFXVGRQHHXDBMQK-UHFFFAOYSA-N
XLogP11.84
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.77
LogP ≤ 511.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[4-dibenzofuran-4-yl-6-(3-phenanthren-4-ylphenyl)-1,3,5-triazin-2-yl]-1,10-phenanthroline 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

2,4-di(dibenzofuran-4-yl)-6-(3-phenanthren-4-ylphenyl)-1,3,5-triazine
CID 169278664
8-[4-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 169278852
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-(7-phenylphenanthren-2-yl)-1,3,5-triazine
CID 169278592
2-dibenzofuran-4-yl-4-(3-phenanthren-4-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 169278943
2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(2-phenylphenyl)-1,3,5-triazine
CID 169278868
5-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)quinoline
CID 169278618
2,4-bis(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2,4-bis(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-dibenzofuran-4-yl-1,3,5-triazine
CID 165081213
3-[4-(3-dibenzofuran-4-yl-5-quinolin-3-ylphenyl)phenyl]-1,10-phenanthroline
CID 171459799
2-naphtho[1,2-b][1]benzofuran-1-yl-4-(9-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 163623403
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155481433
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453

Frequently Asked Questions

What is the IUPAC name of 3-[4-dibenzofuran-4-yl-6-(3-phenanthren-4-ylphenyl)-1,3,5-triazin-2-yl]-1,10-phenanthroline?
The IUPAC name of 3-[4-dibenzofuran-4-yl-6-(3-phenanthren-4-ylphenyl)-1,3,5-triazin-2-yl]-1,10-phenanthroline (CID 169278727) is 3-[4-dibenzofuran-4-yl-6-(3-phenanthren-4-ylphenyl)-1,3,5-triazin-2-yl]-1,10-phenanthroline.
What is the SMILES notation for 3-[4-dibenzofuran-4-yl-6-(3-phenanthren-4-ylphenyl)-1,3,5-triazin-2-yl]-1,10-phenanthroline?
The canonical SMILES for 3-[4-dibenzofuran-4-yl-6-(3-phenanthren-4-ylphenyl)-1,3,5-triazin-2-yl]-1,10-phenanthroline is c1cc(-c2nc(-c3cnc4c(ccc5cccnc54)c3)nc(-c3cccc4c3oc3ccccc34)n2)cc(-c2cccc3ccc4ccccc4c23)c1.
What is the InChIKey of 3-[4-dibenzofuran-4-yl-6-(3-phenanthren-4-ylphenyl)-1,3,5-triazin-2-yl]-1,10-phenanthroline?
The InChIKey is FXVGRQHHXDBMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N5O/c1-2-14-35-28(9-1)20-21-29-10-6-16-36(41(29)35)31-11-5-12-33(25-31)45-50-46(34-26-32-23-22-30-13-8-24-48-42(30)43(32)49-27-34)52-47(51-45)39-18-7-17-38-37-15-3-4-19-40(37)53-44(38)39/h1-27H.
What are the key properties of 3-[4-dibenzofuran-4-yl-6-(3-phenanthren-4-ylphenyl)-1,3,5-triazin-2-yl]-1,10-phenanthroline?
3-[4-dibenzofuran-4-yl-6-(3-phenanthren-4-ylphenyl)-1,3,5-triazin-2-yl]-1,10-phenanthroline has a molecular weight of 677.77 g/mol, XLogP of 11.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-dibenzofuran-4-yl-6-(3-phenanthren-4-ylphenyl)-1,3,5-triazin-2-yl]-1,10-phenanthroline is sourced from PubChem (CID 169278727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).