6-(5-dibenzofuran-1-yl-2-pyridinyl)phenanthridine

C30H18N2O — CID 176819030

IUPAC6-(5-dibenzofuran-1-yl-2-pyridinyl)phenanthridine
SMILESc1ccc2c(c1)nc(-c1ccc(-c3cccc4oc5ccccc5c34)cn1)c1ccccc12
InChIInChI=1S/C30H18N2O/c1-2-10-23-21(8-1)22-9-3-5-13-25(22)32-30(23)26-17-16-19(18-31-26)20-12-7-15-28-29(20)24-11-4-6-14-27(24)33-28/h1-18H
InChIKeyZWJYXXLGOMZSMO-UHFFFAOYSA-N
MW422.49 g/mol
LogP8.02
Rot. Bonds2

About 6-(5-dibenzofuran-1-yl-2-pyridinyl)phenanthridine

6-(5-dibenzofuran-1-yl-2-pyridinyl)phenanthridine (PubChem CID 176819030) has the molecular formula C30H18N2O and a molecular weight of 422.49 g/mol. Its IUPAC name is 6-(5-dibenzofuran-1-yl-2-pyridinyl)phenanthridine.

Molecular Properties

Compound Name6-(5-dibenzofuran-1-yl-2-pyridinyl)phenanthridine
PubChem CID176819030
Molecular FormulaC30H18N2O
Molecular Weight422.49 g/mol
Exact Mass422.14
IUPAC Name6-(5-dibenzofuran-1-yl-2-pyridinyl)phenanthridine
SMILESc1ccc2c(c1)nc(-c1ccc(-c3cccc4oc5ccccc5c34)cn1)c1ccccc12
InChIInChI=1S/C30H18N2O/c1-2-10-23-21(8-1)22-9-3-5-13-25(22)32-30(23)26-17-16-19(18-31-26)20-12-7-15-28-29(20)24-11-4-6-14-27(24)33-28/h1-18H
InChIKeyZWJYXXLGOMZSMO-UHFFFAOYSA-N
XLogP8.02
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.49
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(5-dibenzofuran-2-yl-2-pyridinyl)phenanthridine
CID 176818950
6-(5-naphtho[2,1-b][1]benzofuran-9-yl-2-pyridinyl)phenanthridine
CID 176818947
6-[5-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine
CID 176819218
6-[5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-pyridinyl]phenanthridine
CID 176819149
6-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-pyridinyl]phenanthridine
CID 176818956
2-(4-dibenzofuran-1-ylphenyl)-9-phenyl-1,10-phenanthroline
CID 90049774
4-dibenzofuran-1-yl-2-phenylquinoline
CID 146337940
6-[4-[4-(4-dibenzofuran-1-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 163447676
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 139303458
2-[10-(3-dibenzofuran-1-ylphenyl)triphenylen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 166925668
2,3-bis(4-dibenzofuran-1-ylphenyl)quinoxaline;2-dibenzofuran-1-yl-3-(4-phenylnaphthalen-1-yl)quinoxaline;2-(4-dibenzofuran-1-ylphenyl)-3-phenylpyrido[3,4-b]pyrazine;2,3-di(dibenzofuran-1-yl)quinoxaline
CID 161432167

Frequently Asked Questions

What is the IUPAC name of 6-(5-dibenzofuran-1-yl-2-pyridinyl)phenanthridine?
The IUPAC name of 6-(5-dibenzofuran-1-yl-2-pyridinyl)phenanthridine (CID 176819030) is 6-(5-dibenzofuran-1-yl-2-pyridinyl)phenanthridine.
What is the SMILES notation for 6-(5-dibenzofuran-1-yl-2-pyridinyl)phenanthridine?
The canonical SMILES for 6-(5-dibenzofuran-1-yl-2-pyridinyl)phenanthridine is c1ccc2c(c1)nc(-c1ccc(-c3cccc4oc5ccccc5c34)cn1)c1ccccc12.
What is the InChIKey of 6-(5-dibenzofuran-1-yl-2-pyridinyl)phenanthridine?
The InChIKey is ZWJYXXLGOMZSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N2O/c1-2-10-23-21(8-1)22-9-3-5-13-25(22)32-30(23)26-17-16-19(18-31-26)20-12-7-15-28-29(20)24-11-4-6-14-27(24)33-28/h1-18H.
What are the key properties of 6-(5-dibenzofuran-1-yl-2-pyridinyl)phenanthridine?
6-(5-dibenzofuran-1-yl-2-pyridinyl)phenanthridine has a molecular weight of 422.49 g/mol, XLogP of 8.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-dibenzofuran-1-yl-2-pyridinyl)phenanthridine is sourced from PubChem (CID 176819030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).