2-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-9-(4-fluorophenyl)-1,10-phenanthroline

C36H23FN2O — CID 134446065

IUPAC2-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-9-(4-fluorophenyl)-1,10-phenanthroline
SMILESFc1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc7c8c(oc67)C=CCC8)cc5)nc4c3n2)cc1
InChIInChI=1S/C36H23FN2O/c37-27-18-14-24(15-19-27)32-21-17-26-13-12-25-16-20-31(38-34(25)35(26)39-32)23-10-8-22(9-11-23)28-5-3-6-30-29-4-1-2-7-33(29)40-36(28)30/h2-3,5-21H,1,4H2
InChIKeyCJMGNTHESUPYQR-UHFFFAOYSA-N
MW518.59 g/mol
LogP9.63
Rot. Bonds3

About 2-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-9-(4-fluorophenyl)-1,10-phenanthroline

2-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-9-(4-fluorophenyl)-1,10-phenanthroline (PubChem CID 134446065) has the molecular formula C36H23FN2O and a molecular weight of 518.59 g/mol. Its IUPAC name is 2-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-9-(4-fluorophenyl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-9-(4-fluorophenyl)-1,10-phenanthroline
PubChem CID134446065
Molecular FormulaC36H23FN2O
Molecular Weight518.59 g/mol
Exact Mass518.18
IUPAC Name2-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-9-(4-fluorophenyl)-1,10-phenanthroline
SMILESFc1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc7c8c(oc67)C=CCC8)cc5)nc4c3n2)cc1
InChIInChI=1S/C36H23FN2O/c37-27-18-14-24(15-19-27)32-21-17-26-13-12-25-16-20-31(38-34(25)35(26)39-32)23-10-8-22(9-11-23)28-5-3-6-30-29-4-1-2-7-33(29)40-36(28)30/h2-3,5-21H,1,4H2
InChIKeyCJMGNTHESUPYQR-UHFFFAOYSA-N
XLogP9.63
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.59
LogP ≤ 59.63
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-9-(4-fluorophenyl)-1,10-phenanthroline?
The IUPAC name of 2-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-9-(4-fluorophenyl)-1,10-phenanthroline (CID 134446065) is 2-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-9-(4-fluorophenyl)-1,10-phenanthroline.
What is the SMILES notation for 2-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-9-(4-fluorophenyl)-1,10-phenanthroline?
The canonical SMILES for 2-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-9-(4-fluorophenyl)-1,10-phenanthroline is Fc1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc7c8c(oc67)C=CCC8)cc5)nc4c3n2)cc1.
What is the InChIKey of 2-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-9-(4-fluorophenyl)-1,10-phenanthroline?
The InChIKey is CJMGNTHESUPYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23FN2O/c37-27-18-14-24(15-19-27)32-21-17-26-13-12-25-16-20-31(38-34(25)35(26)39-32)23-10-8-22(9-11-23)28-5-3-6-30-29-4-1-2-7-33(29)40-36(28)30/h2-3,5-21H,1,4H2.
What are the key properties of 2-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-9-(4-fluorophenyl)-1,10-phenanthroline?
2-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-9-(4-fluorophenyl)-1,10-phenanthroline has a molecular weight of 518.59 g/mol, XLogP of 9.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-9-(4-fluorophenyl)-1,10-phenanthroline is sourced from PubChem (CID 134446065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).