11-(4-dibenzofuran-2-ylphenyl)benzo[f][1,10]phenanthroline

C34H20N2O — CID 90049940

IUPAC11-(4-dibenzofuran-2-ylphenyl)benzo[f][1,10]phenanthroline
SMILESc1ccc2c(c1)oc1ccc(-c3ccc(-c4ccc5c6ccccc6c6cccnc6c5n4)cc3)cc12
InChIInChI=1S/C34H20N2O/c1-2-7-25-24(6-1)27-9-5-19-35-33(27)34-28(25)16-17-30(36-34)22-13-11-21(12-14-22)23-15-18-32-29(20-23)26-8-3-4-10-31(26)37-32/h1-20H
InChIKeyJFSHSOJFYDGTIG-UHFFFAOYSA-N
MW472.55 g/mol
LogP9.17
Rot. Bonds2

About 11-(4-dibenzofuran-2-ylphenyl)benzo[f][1,10]phenanthroline

11-(4-dibenzofuran-2-ylphenyl)benzo[f][1,10]phenanthroline (PubChem CID 90049940) has the molecular formula C34H20N2O and a molecular weight of 472.55 g/mol. Its IUPAC name is 11-(4-dibenzofuran-2-ylphenyl)benzo[f][1,10]phenanthroline.

Molecular Properties

Compound Name11-(4-dibenzofuran-2-ylphenyl)benzo[f][1,10]phenanthroline
PubChem CID90049940
Molecular FormulaC34H20N2O
Molecular Weight472.55 g/mol
Exact Mass472.16
IUPAC Name11-(4-dibenzofuran-2-ylphenyl)benzo[f][1,10]phenanthroline
SMILESc1ccc2c(c1)oc1ccc(-c3ccc(-c4ccc5c6ccccc6c6cccnc6c5n4)cc3)cc12
InChIInChI=1S/C34H20N2O/c1-2-7-25-24(6-1)27-9-5-19-35-33(27)34-28(25)16-17-30(36-34)22-13-11-21(12-14-22)23-15-18-32-29(20-23)26-8-3-4-10-31(26)37-32/h1-20H
InChIKeyJFSHSOJFYDGTIG-UHFFFAOYSA-N
XLogP9.17
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.55
LogP ≤ 59.17
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

2-dibenzofuran-2-yl-9-(4-triphenylen-2-ylphenyl)-1,10-phenanthroline
CID 134410345
2,9-bis(4-dibenzofuran-2-ylphenyl)-1,10-phenanthroline
CID 90050213
10-(3-dibenzofuran-2-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine
CID 88858629
2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9-phenyl-1,10-phenanthroline
CID 90049902
3-[3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063437
10-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858645
3-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063503
2-(4-dibenzofuran-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline
CID 90049925
3-[4-(2-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 158679722
10-(4-dibenzofuran-2-ylnaphthalen-1-yl)phenanthro[9,10-b]pyrazine
CID 88858623
4,7-bis(4-dibenzofuran-2-ylphenyl)-1,10-phenanthroline
CID 90050316
2-[4-(6-dibenzofuran-2-ylnaphthalen-2-yl)phenyl]pyridine
CID 171056233

Frequently Asked Questions

What is the IUPAC name of 11-(4-dibenzofuran-2-ylphenyl)benzo[f][1,10]phenanthroline?
The IUPAC name of 11-(4-dibenzofuran-2-ylphenyl)benzo[f][1,10]phenanthroline (CID 90049940) is 11-(4-dibenzofuran-2-ylphenyl)benzo[f][1,10]phenanthroline.
What is the SMILES notation for 11-(4-dibenzofuran-2-ylphenyl)benzo[f][1,10]phenanthroline?
The canonical SMILES for 11-(4-dibenzofuran-2-ylphenyl)benzo[f][1,10]phenanthroline is c1ccc2c(c1)oc1ccc(-c3ccc(-c4ccc5c6ccccc6c6cccnc6c5n4)cc3)cc12.
What is the InChIKey of 11-(4-dibenzofuran-2-ylphenyl)benzo[f][1,10]phenanthroline?
The InChIKey is JFSHSOJFYDGTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N2O/c1-2-7-25-24(6-1)27-9-5-19-35-33(27)34-28(25)16-17-30(36-34)22-13-11-21(12-14-22)23-15-18-32-29(20-23)26-8-3-4-10-31(26)37-32/h1-20H.
What are the key properties of 11-(4-dibenzofuran-2-ylphenyl)benzo[f][1,10]phenanthroline?
11-(4-dibenzofuran-2-ylphenyl)benzo[f][1,10]phenanthroline has a molecular weight of 472.55 g/mol, XLogP of 9.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-dibenzofuran-2-ylphenyl)benzo[f][1,10]phenanthroline is sourced from PubChem (CID 90049940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).