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

C36H22N2O — CID 90049774

IUPAC2-(4-dibenzofuran-1-ylphenyl)-9-phenyl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc7oc8ccccc8c67)cc5)nc4c3n2)cc1
InChIInChI=1S/C36H22N2O/c1-2-7-24(8-3-1)30-21-19-26-17-18-27-20-22-31(38-36(27)35(26)37-30)25-15-13-23(14-16-25)28-10-6-12-33-34(28)29-9-4-5-11-32(29)39-33/h1-22H
InChIKeyGOEMVMUOMCWXFV-UHFFFAOYSA-N
MW498.59 g/mol
LogP9.68
Rot. Bonds3

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

2-(4-dibenzofuran-1-ylphenyl)-9-phenyl-1,10-phenanthroline (PubChem CID 90049774) has the molecular formula C36H22N2O and a molecular weight of 498.59 g/mol. Its IUPAC name is 2-(4-dibenzofuran-1-ylphenyl)-9-phenyl-1,10-phenanthroline.

Molecular Properties

Compound Name2-(4-dibenzofuran-1-ylphenyl)-9-phenyl-1,10-phenanthroline
PubChem CID90049774
Molecular FormulaC36H22N2O
Molecular Weight498.59 g/mol
Exact Mass498.17
IUPAC Name2-(4-dibenzofuran-1-ylphenyl)-9-phenyl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc7oc8ccccc8c67)cc5)nc4c3n2)cc1
InChIInChI=1S/C36H22N2O/c1-2-7-24(8-3-1)30-21-19-26-17-18-27-20-22-31(38-36(27)35(26)37-30)25-15-13-23(14-16-25)28-10-6-12-33-34(28)29-9-4-5-11-32(29)39-33/h1-22H
InChIKeyGOEMVMUOMCWXFV-UHFFFAOYSA-N
XLogP9.68
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.59
LogP ≤ 59.68
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

4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 121460855
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 139304376
4-(4-dibenzofuran-1-ylphenyl)-2-methyl-6-phenylpyrimidine
CID 149347803
4-(4-dibenzofuran-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 139304375
2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9-phenyl-1,10-phenanthroline
CID 90049902
4-(3-dibenzofuran-1-ylphenyl)-6-(4-dibenzofuran-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 139304966
2-phenyl-9-[4-[2-[2-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 59010512
2-[2-[3-(4-dibenzofuran-1-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 174268136
2-(4-dibenzofuran-4-ylphenyl)-7-phenylbenzo[b][1,10]phenanthroline
CID 134559623
2-[3-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-9-phenyl-1,10-phenanthroline
CID 164835114
2,4-bis(4-dibenzofuran-1-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139304436
2-dibenzofuran-1-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741540

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-1-ylphenyl)-9-phenyl-1,10-phenanthroline?
The IUPAC name of 2-(4-dibenzofuran-1-ylphenyl)-9-phenyl-1,10-phenanthroline (CID 90049774) is 2-(4-dibenzofuran-1-ylphenyl)-9-phenyl-1,10-phenanthroline.
What is the SMILES notation for 2-(4-dibenzofuran-1-ylphenyl)-9-phenyl-1,10-phenanthroline?
The canonical SMILES for 2-(4-dibenzofuran-1-ylphenyl)-9-phenyl-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc7oc8ccccc8c67)cc5)nc4c3n2)cc1.
What is the InChIKey of 2-(4-dibenzofuran-1-ylphenyl)-9-phenyl-1,10-phenanthroline?
The InChIKey is GOEMVMUOMCWXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N2O/c1-2-7-24(8-3-1)30-21-19-26-17-18-27-20-22-31(38-36(27)35(26)37-30)25-15-13-23(14-16-25)28-10-6-12-33-34(28)29-9-4-5-11-32(29)39-33/h1-22H.
What are the key properties of 2-(4-dibenzofuran-1-ylphenyl)-9-phenyl-1,10-phenanthroline?
2-(4-dibenzofuran-1-ylphenyl)-9-phenyl-1,10-phenanthroline has a molecular weight of 498.59 g/mol, XLogP of 9.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-1-ylphenyl)-9-phenyl-1,10-phenanthroline is sourced from PubChem (CID 90049774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).