2-(4-dibenzofuran-4-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline

C35H21N3O — CID 90049857

IUPAC2-(4-dibenzofuran-4-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)nc4c3n2)nc1
InChIInChI=1S/C35H21N3O/c1-2-10-32-27(6-1)28-8-5-7-26(35(28)39-32)22-11-13-23(14-12-22)29-19-17-24-15-16-25-18-20-31(30-9-3-4-21-36-30)38-34(25)33(24)37-29/h1-21H
InChIKeyODSOXLKQUHMJMB-UHFFFAOYSA-N
MW499.57 g/mol
LogP9.08
Rot. Bonds3

About 2-(4-dibenzofuran-4-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline

2-(4-dibenzofuran-4-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline (PubChem CID 90049857) has the molecular formula C35H21N3O and a molecular weight of 499.57 g/mol. Its IUPAC name is 2-(4-dibenzofuran-4-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline.

Molecular Properties

Compound Name2-(4-dibenzofuran-4-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline
PubChem CID90049857
Molecular FormulaC35H21N3O
Molecular Weight499.57 g/mol
Exact Mass499.17
IUPAC Name2-(4-dibenzofuran-4-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)nc4c3n2)nc1
InChIInChI=1S/C35H21N3O/c1-2-10-32-27(6-1)28-8-5-7-26(35(28)39-32)22-11-13-23(14-12-22)29-19-17-24-15-16-25-18-20-31(30-9-3-4-21-36-30)38-34(25)33(24)37-29/h1-21H
InChIKeyODSOXLKQUHMJMB-UHFFFAOYSA-N
XLogP9.08
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.57
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-dibenzofuran-4-ylphenyl)-2,9-dipyridin-2-yl-1,10-phenanthroline
CID 90050350
2-(4-carbazol-9-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)-1,10-phenanthroline
CID 90049874
2-(4-dibenzofuran-4-ylphenyl)-7-phenylbenzo[b][1,10]phenanthroline
CID 134559623
2-(4-dibenzofuran-4-ylphenyl)-4,9-diphenylpyrido[3,2-h]quinazoline
CID 156574256
2-dibenzofuran-4-ylpyridine
CID 59500175
2-(3-dibenzofuran-4-yl-5-pyridin-3-ylphenyl)-1,10-phenanthroline
CID 155235089
4-dibenzofuran-4-yl-9-phenyl-2-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 90050330
N-(4-dibenzofuran-4-ylphenyl)-4-(1,5-naphthyridin-2-yl)-N-[4-(1,5-naphthyridin-2-yl)phenyl]aniline
CID 168765724
2-(4-dibenzofuran-1-ylphenyl)-9-phenyl-1,10-phenanthroline
CID 90049774
3-[5-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-f]quinoline
CID 138739098
2-(3-dibenzofuran-4-ylphenyl)-9-fluoranthen-3-yl-1,10-phenanthroline
CID 90049811
4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-[4-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 130261958

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline?
The IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline (CID 90049857) is 2-(4-dibenzofuran-4-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline.
What is the SMILES notation for 2-(4-dibenzofuran-4-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline?
The canonical SMILES for 2-(4-dibenzofuran-4-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)nc4c3n2)nc1.
What is the InChIKey of 2-(4-dibenzofuran-4-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline?
The InChIKey is ODSOXLKQUHMJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N3O/c1-2-10-32-27(6-1)28-8-5-7-26(35(28)39-32)22-11-13-23(14-12-22)29-19-17-24-15-16-25-18-20-31(30-9-3-4-21-36-30)38-34(25)33(24)37-29/h1-21H.
What are the key properties of 2-(4-dibenzofuran-4-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline?
2-(4-dibenzofuran-4-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline has a molecular weight of 499.57 g/mol, XLogP of 9.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-4-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline is sourced from PubChem (CID 90049857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).