5-(4-dibenzofuran-4-ylphenyl)-2,9-dipyridin-2-yl-1,10-phenanthroline

C40H24N4O — CID 90050350

IUPAC5-(4-dibenzofuran-4-ylphenyl)-2,9-dipyridin-2-yl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3cc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-c5ccccn5)nc4c3n2)nc1
InChIInChI=1S/C40H24N4O/c1-2-13-37-29(8-1)31-10-7-9-28(40(31)45-37)25-14-16-26(17-15-25)32-24-27-18-20-35(33-11-3-5-22-41-33)43-38(27)39-30(32)19-21-36(44-39)34-12-4-6-23-42-34/h1-24H
InChIKeyRXWANUYKFQZAAA-UHFFFAOYSA-N
MW576.66 g/mol
LogP10.14
Rot. Bonds4

About 5-(4-dibenzofuran-4-ylphenyl)-2,9-dipyridin-2-yl-1,10-phenanthroline

5-(4-dibenzofuran-4-ylphenyl)-2,9-dipyridin-2-yl-1,10-phenanthroline (PubChem CID 90050350) has the molecular formula C40H24N4O and a molecular weight of 576.66 g/mol. Its IUPAC name is 5-(4-dibenzofuran-4-ylphenyl)-2,9-dipyridin-2-yl-1,10-phenanthroline.

Molecular Properties

Compound Name5-(4-dibenzofuran-4-ylphenyl)-2,9-dipyridin-2-yl-1,10-phenanthroline
PubChem CID90050350
Molecular FormulaC40H24N4O
Molecular Weight576.66 g/mol
Exact Mass576.20
IUPAC Name5-(4-dibenzofuran-4-ylphenyl)-2,9-dipyridin-2-yl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3cc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-c5ccccn5)nc4c3n2)nc1
InChIInChI=1S/C40H24N4O/c1-2-13-37-29(8-1)31-10-7-9-28(40(31)45-37)25-14-16-26(17-15-25)32-24-27-18-20-35(33-11-3-5-22-41-33)43-38(27)39-30(32)19-21-36(44-39)34-12-4-6-23-42-34/h1-24H
InChIKeyRXWANUYKFQZAAA-UHFFFAOYSA-N
XLogP10.14
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.66
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(4-dibenzofuran-4-ylphenyl)-2,9-dipyridin-2-yl-1,10-phenanthroline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-dibenzofuran-4-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline
CID 90049857
2-(4-dibenzofuran-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 90049933
5-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,9-dipyridin-2-yl-1,10-phenanthroline
CID 59307376
4-dibenzofuran-4-yl-9-phenyl-2-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 90050330
2-dibenzofuran-4-ylpyridine
CID 59500175
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-(6-dibenzofuran-4-ylnaphthalen-2-yl)-7-phenylbenzo[b][1,10]phenanthroline
CID 134559717
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063395
3-[3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063454
3-[3-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063457
3-[3-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine
CID 129063498

Frequently Asked Questions

What is the IUPAC name of 5-(4-dibenzofuran-4-ylphenyl)-2,9-dipyridin-2-yl-1,10-phenanthroline?
The IUPAC name of 5-(4-dibenzofuran-4-ylphenyl)-2,9-dipyridin-2-yl-1,10-phenanthroline (CID 90050350) is 5-(4-dibenzofuran-4-ylphenyl)-2,9-dipyridin-2-yl-1,10-phenanthroline.
What is the SMILES notation for 5-(4-dibenzofuran-4-ylphenyl)-2,9-dipyridin-2-yl-1,10-phenanthroline?
The canonical SMILES for 5-(4-dibenzofuran-4-ylphenyl)-2,9-dipyridin-2-yl-1,10-phenanthroline is c1ccc(-c2ccc3cc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-c5ccccn5)nc4c3n2)nc1.
What is the InChIKey of 5-(4-dibenzofuran-4-ylphenyl)-2,9-dipyridin-2-yl-1,10-phenanthroline?
The InChIKey is RXWANUYKFQZAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4O/c1-2-13-37-29(8-1)31-10-7-9-28(40(31)45-37)25-14-16-26(17-15-25)32-24-27-18-20-35(33-11-3-5-22-41-33)43-38(27)39-30(32)19-21-36(44-39)34-12-4-6-23-42-34/h1-24H.
What are the key properties of 5-(4-dibenzofuran-4-ylphenyl)-2,9-dipyridin-2-yl-1,10-phenanthroline?
5-(4-dibenzofuran-4-ylphenyl)-2,9-dipyridin-2-yl-1,10-phenanthroline has a molecular weight of 576.66 g/mol, XLogP of 10.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-dibenzofuran-4-ylphenyl)-2,9-dipyridin-2-yl-1,10-phenanthroline is sourced from PubChem (CID 90050350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).