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

C46H28N4O — CID 154949744

IUPAC9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenanthridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccc6cnc7ccccc7c6c5)cc5c4oc4ccccc45)cc3)n2)cc1
InChIInChI=1S/C46H28N4O/c1-3-11-30(12-4-1)44-48-45(31-13-5-2-6-14-31)50-46(49-44)32-21-19-29(20-22-32)39-26-35(27-40-37-16-8-10-18-42(37)51-43(39)40)33-23-24-34-28-47-41-17-9-7-15-36(41)38(34)25-33/h1-28H
InChIKeyFKUIIZIKFKAPGL-UHFFFAOYSA-N
MW652.76 g/mol
LogP11.81
Rot. Bonds5

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

9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenanthridine (PubChem CID 154949744) has the molecular formula C46H28N4O and a molecular weight of 652.76 g/mol. Its IUPAC name is 9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenanthridine.

Molecular Properties

Compound Name9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenanthridine
PubChem CID154949744
Molecular FormulaC46H28N4O
Molecular Weight652.76 g/mol
Exact Mass652.23
IUPAC Name9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenanthridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccc6cnc7ccccc7c6c5)cc5c4oc4ccccc45)cc3)n2)cc1
InChIInChI=1S/C46H28N4O/c1-3-11-30(12-4-1)44-48-45(31-13-5-2-6-14-31)50-46(49-44)32-21-19-29(20-22-32)39-26-35(27-40-37-16-8-10-18-42(37)51-43(39)40)33-23-24-34-28-47-41-17-9-7-15-36(41)38(34)25-33/h1-28H
InChIKeyFKUIIZIKFKAPGL-UHFFFAOYSA-N
XLogP11.81
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.76
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4-diphenyl-6-[3-phenyl-5-(4-phenyldibenzofuran-2-yl)phenyl]-1,3,5-triazine
CID 146369018
2-[6,8-di(dibenzofuran-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 137496784
2,4-diphenyl-6-[4-[2-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-4-yl]phenyl]pyrimidine
CID 153289566
2,4-diphenyl-6-[7-[4-(3-phenylphenyl)dibenzofuran-2-yl]dibenzofuran-3-yl]-1,3,5-triazine
CID 170378711
2-phenyl-4-[7-(2-phenyldibenzofuran-4-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170378592
2-phenyl-4-[7-(4-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170206765
2,4-diphenyl-6-[7-[4-(4-phenylphenyl)dibenzofuran-2-yl]dibenzofuran-1-yl]-1,3,5-triazine
CID 170378755
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[h]quinoline
CID 154949584
2,4-diphenyl-6-[4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
CID 176853604
2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850178
2-dibenzofuran-1-yl-4-phenyl-6-(4-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 171416687
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-phenyldibenzofuran-2-yl)carbazole
CID 167309630

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenanthridine?
The IUPAC name of 9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenanthridine (CID 154949744) is 9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenanthridine.
What is the SMILES notation for 9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenanthridine?
The canonical SMILES for 9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenanthridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccc6cnc7ccccc7c6c5)cc5c4oc4ccccc45)cc3)n2)cc1.
What is the InChIKey of 9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenanthridine?
The InChIKey is FKUIIZIKFKAPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4O/c1-3-11-30(12-4-1)44-48-45(31-13-5-2-6-14-31)50-46(49-44)32-21-19-29(20-22-32)39-26-35(27-40-37-16-8-10-18-42(37)51-43(39)40)33-23-24-34-28-47-41-17-9-7-15-36(41)38(34)25-33/h1-28H.
What are the key properties of 9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenanthridine?
9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenanthridine has a molecular weight of 652.76 g/mol, XLogP of 11.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenanthridine is sourced from PubChem (CID 154949744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).