9-dibenzofuran-3-yl-6-(4-fluorophenyl)benzo[k]phenanthridine

C35H20FNO — CID 138605578

IUPAC9-dibenzofuran-3-yl-6-(4-fluorophenyl)benzo[k]phenanthridine
SMILESFc1ccc(-c2nc3ccccc3c3c2ccc2c(-c4ccc5c(c4)oc4ccccc45)cccc23)cc1
InChIInChI=1S/C35H20FNO/c36-23-15-12-21(13-16-23)35-30-19-18-25-24(8-5-9-28(25)34(30)29-7-1-3-10-31(29)37-35)22-14-17-27-26-6-2-4-11-32(26)38-33(27)20-22/h1-20H
InChIKeyZBFWBAKXQOJDLL-UHFFFAOYSA-N
MW489.55 g/mol
LogP9.91
Rot. Bonds2

About 9-dibenzofuran-3-yl-6-(4-fluorophenyl)benzo[k]phenanthridine

9-dibenzofuran-3-yl-6-(4-fluorophenyl)benzo[k]phenanthridine (PubChem CID 138605578) has the molecular formula C35H20FNO and a molecular weight of 489.55 g/mol. Its IUPAC name is 9-dibenzofuran-3-yl-6-(4-fluorophenyl)benzo[k]phenanthridine.

Molecular Properties

Compound Name9-dibenzofuran-3-yl-6-(4-fluorophenyl)benzo[k]phenanthridine
PubChem CID138605578
Molecular FormulaC35H20FNO
Molecular Weight489.55 g/mol
Exact Mass489.15
IUPAC Name9-dibenzofuran-3-yl-6-(4-fluorophenyl)benzo[k]phenanthridine
SMILESFc1ccc(-c2nc3ccccc3c3c2ccc2c(-c4ccc5c(c4)oc4ccccc45)cccc23)cc1
InChIInChI=1S/C35H20FNO/c36-23-15-12-21(13-16-23)35-30-19-18-25-24(8-5-9-28(25)34(30)29-7-1-3-10-31(29)37-35)22-14-17-27-26-6-2-4-11-32(26)38-33(27)20-22/h1-20H
InChIKeyZBFWBAKXQOJDLL-UHFFFAOYSA-N
XLogP9.91
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.55
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 9-dibenzofuran-3-yl-6-(4-fluorophenyl)benzo[k]phenanthridine?
The IUPAC name of 9-dibenzofuran-3-yl-6-(4-fluorophenyl)benzo[k]phenanthridine (CID 138605578) is 9-dibenzofuran-3-yl-6-(4-fluorophenyl)benzo[k]phenanthridine.
What is the SMILES notation for 9-dibenzofuran-3-yl-6-(4-fluorophenyl)benzo[k]phenanthridine?
The canonical SMILES for 9-dibenzofuran-3-yl-6-(4-fluorophenyl)benzo[k]phenanthridine is Fc1ccc(-c2nc3ccccc3c3c2ccc2c(-c4ccc5c(c4)oc4ccccc45)cccc23)cc1.
What is the InChIKey of 9-dibenzofuran-3-yl-6-(4-fluorophenyl)benzo[k]phenanthridine?
The InChIKey is ZBFWBAKXQOJDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20FNO/c36-23-15-12-21(13-16-23)35-30-19-18-25-24(8-5-9-28(25)34(30)29-7-1-3-10-31(29)37-35)22-14-17-27-26-6-2-4-11-32(26)38-33(27)20-22/h1-20H.
What are the key properties of 9-dibenzofuran-3-yl-6-(4-fluorophenyl)benzo[k]phenanthridine?
9-dibenzofuran-3-yl-6-(4-fluorophenyl)benzo[k]phenanthridine has a molecular weight of 489.55 g/mol, XLogP of 9.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-3-yl-6-(4-fluorophenyl)benzo[k]phenanthridine is sourced from PubChem (CID 138605578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).