2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,10-phenanthroline

C39H23N5O — CID 152873116

IUPAC2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,10-phenanthroline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5c(-c6ccc7ccc8cccnc8c7n6)cccc5c34)n2)cc1
InChIInChI=1S/C39H23N5O/c1-3-10-26(11-4-1)37-42-38(27-12-5-2-6-13-27)44-39(43-37)30-17-8-18-32-33(30)29-16-7-15-28(36(29)45-32)31-22-21-25-20-19-24-14-9-23-40-34(24)35(25)41-31/h1-23H
InChIKeyTZUCFSRPNRPRAH-UHFFFAOYSA-N
MW577.65 g/mol
LogP9.54
Rot. Bonds4

About 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,10-phenanthroline

2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,10-phenanthroline (PubChem CID 152873116) has the molecular formula C39H23N5O and a molecular weight of 577.65 g/mol. Its IUPAC name is 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,10-phenanthroline
PubChem CID152873116
Molecular FormulaC39H23N5O
Molecular Weight577.65 g/mol
Exact Mass577.19
IUPAC Name2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,10-phenanthroline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5c(-c6ccc7ccc8cccnc8c7n6)cccc5c34)n2)cc1
InChIInChI=1S/C39H23N5O/c1-3-10-26(11-4-1)37-42-38(27-12-5-2-6-13-27)44-39(43-37)30-17-8-18-32-33(30)29-16-7-15-28(36(29)45-32)31-22-21-25-20-19-24-14-9-23-40-34(24)35(25)41-31/h1-23H
InChIKeyTZUCFSRPNRPRAH-UHFFFAOYSA-N
XLogP9.54
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.65
LogP ≤ 59.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,10-phenanthroline with MolForge

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Related Compounds

8-[4-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 169278852
2-(6-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166740940
2-(6-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742287
2-(6-naphtho[1,2-b][1]benzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741050
2-naphtho[1,2-b][1]benzofuran-7-yl-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 155155981
2,4-diphenyl-6-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]dibenzofuran-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1,3,5-triazine
CID 159237047
2-[6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 153263520
2-phenyl-4-(4-phenyldibenzofuran-1-yl)-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 155477197
2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164808319
3-[5-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-f]quinoline
CID 138739098
2-(4-naphthalen-2-ylphenyl)-4-[6-(4-phenylphenyl)dibenzofuran-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808228
4-dibenzofuran-4-yl-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]pyridine
CID 168785404

Frequently Asked Questions

What is the IUPAC name of 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,10-phenanthroline?
The IUPAC name of 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,10-phenanthroline (CID 152873116) is 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,10-phenanthroline.
What is the SMILES notation for 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,10-phenanthroline?
The canonical SMILES for 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,10-phenanthroline is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5c(-c6ccc7ccc8cccnc8c7n6)cccc5c34)n2)cc1.
What is the InChIKey of 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,10-phenanthroline?
The InChIKey is TZUCFSRPNRPRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23N5O/c1-3-10-26(11-4-1)37-42-38(27-12-5-2-6-13-27)44-39(43-37)30-17-8-18-32-33(30)29-16-7-15-28(36(29)45-32)31-22-21-25-20-19-24-14-9-23-40-34(24)35(25)41-31/h1-23H.
What are the key properties of 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,10-phenanthroline?
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,10-phenanthroline has a molecular weight of 577.65 g/mol, XLogP of 9.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,10-phenanthroline is sourced from PubChem (CID 152873116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).