2-(3-dibenzofuran-4-yl-5-pyridin-3-ylphenyl)-1,10-phenanthroline

C35H21N3O — CID 155235089

IUPAC2-(3-dibenzofuran-4-yl-5-pyridin-3-ylphenyl)-1,10-phenanthroline
SMILESc1cncc(-c2cc(-c3ccc4ccc5cccnc5c4n3)cc(-c3cccc4c3oc3ccccc34)c2)c1
InChIInChI=1S/C35H21N3O/c1-2-11-32-29(8-1)30-10-3-9-28(35(30)39-32)26-18-25(24-7-4-16-36-21-24)19-27(20-26)31-15-14-23-13-12-22-6-5-17-37-33(22)34(23)38-31/h1-21H
InChIKeyLYNNXNSRKLKGHZ-UHFFFAOYSA-N
MW499.57 g/mol
LogP9.08
Rot. Bonds3

About 2-(3-dibenzofuran-4-yl-5-pyridin-3-ylphenyl)-1,10-phenanthroline

2-(3-dibenzofuran-4-yl-5-pyridin-3-ylphenyl)-1,10-phenanthroline (PubChem CID 155235089) has the molecular formula C35H21N3O and a molecular weight of 499.57 g/mol. Its IUPAC name is 2-(3-dibenzofuran-4-yl-5-pyridin-3-ylphenyl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-(3-dibenzofuran-4-yl-5-pyridin-3-ylphenyl)-1,10-phenanthroline
PubChem CID155235089
Molecular FormulaC35H21N3O
Molecular Weight499.57 g/mol
Exact Mass499.17
IUPAC Name2-(3-dibenzofuran-4-yl-5-pyridin-3-ylphenyl)-1,10-phenanthroline
SMILESc1cncc(-c2cc(-c3ccc4ccc5cccnc5c4n3)cc(-c3cccc4c3oc3ccccc34)c2)c1
InChIInChI=1S/C35H21N3O/c1-2-11-32-29(8-1)30-10-3-9-28(35(30)39-32)26-18-25(24-7-4-16-36-21-24)19-27(20-26)31-15-14-23-13-12-22-6-5-17-37-33(22)34(23)38-31/h1-21H
InChIKeyLYNNXNSRKLKGHZ-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

2-dibenzofuran-4-yl-4-(3-pyridin-3-ylphenyl)pyrimidine
CID 155079086
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 171584057
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 171584662
4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-pyridin-3-ylpyrimidine
CID 171585346
2-(3-dibenzofuran-4-ylphenyl)-9-fluoranthen-3-yl-1,10-phenanthroline
CID 90049811
3-[4-(3-dibenzofuran-4-yl-5-quinolin-3-ylphenyl)phenyl]-1,10-phenanthroline
CID 171459799
2-(4-dibenzofuran-4-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline
CID 90049857
2-phenyl-5-[3-(6-phenyldibenzofuran-4-yl)-5-pyridin-3-ylphenyl]pyridine
CID 171760904
2-dibenzofuran-4-yl-4-(3-naphthalen-2-yl-5-pyridin-3-ylphenyl)-6-phenyl-1,3,5-triazine
CID 154949955
2-[4-[6-[3,5-bis(3-dibenzofuran-2-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline
CID 123640065
4-dibenzofuran-4-yl-9-phenyl-2-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 90050330
4-dibenzofuran-4-yl-2-methyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 155603249

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzofuran-4-yl-5-pyridin-3-ylphenyl)-1,10-phenanthroline?
The IUPAC name of 2-(3-dibenzofuran-4-yl-5-pyridin-3-ylphenyl)-1,10-phenanthroline (CID 155235089) is 2-(3-dibenzofuran-4-yl-5-pyridin-3-ylphenyl)-1,10-phenanthroline.
What is the SMILES notation for 2-(3-dibenzofuran-4-yl-5-pyridin-3-ylphenyl)-1,10-phenanthroline?
The canonical SMILES for 2-(3-dibenzofuran-4-yl-5-pyridin-3-ylphenyl)-1,10-phenanthroline is c1cncc(-c2cc(-c3ccc4ccc5cccnc5c4n3)cc(-c3cccc4c3oc3ccccc34)c2)c1.
What is the InChIKey of 2-(3-dibenzofuran-4-yl-5-pyridin-3-ylphenyl)-1,10-phenanthroline?
The InChIKey is LYNNXNSRKLKGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N3O/c1-2-11-32-29(8-1)30-10-3-9-28(35(30)39-32)26-18-25(24-7-4-16-36-21-24)19-27(20-26)31-15-14-23-13-12-22-6-5-17-37-33(22)34(23)38-31/h1-21H.
What are the key properties of 2-(3-dibenzofuran-4-yl-5-pyridin-3-ylphenyl)-1,10-phenanthroline?
2-(3-dibenzofuran-4-yl-5-pyridin-3-ylphenyl)-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-(3-dibenzofuran-4-yl-5-pyridin-3-ylphenyl)-1,10-phenanthroline is sourced from PubChem (CID 155235089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).