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

C35H20FNO — CID 138605707

IUPAC8-dibenzofuran-3-yl-6-(4-fluorophenyl)benzo[k]phenanthridine
SMILESFc1ccc(-c2nc3ccccc3c3c2cc(-c2ccc4c(c2)oc2ccccc24)c2ccccc23)cc1
InChIInChI=1S/C35H20FNO/c36-23-16-13-21(14-17-23)35-30-20-29(22-15-18-26-25-8-4-6-12-32(25)38-33(26)19-22)24-7-1-2-9-27(24)34(30)28-10-3-5-11-31(28)37-35/h1-20H
InChIKeyPJNUGPYRMFXAPO-UHFFFAOYSA-N
MW489.55 g/mol
LogP9.91
Rot. Bonds2

About 8-dibenzofuran-3-yl-6-(4-fluorophenyl)benzo[k]phenanthridine

8-dibenzofuran-3-yl-6-(4-fluorophenyl)benzo[k]phenanthridine (PubChem CID 138605707) has the molecular formula C35H20FNO and a molecular weight of 489.55 g/mol. Its IUPAC name is 8-dibenzofuran-3-yl-6-(4-fluorophenyl)benzo[k]phenanthridine.

Molecular Properties

Compound Name8-dibenzofuran-3-yl-6-(4-fluorophenyl)benzo[k]phenanthridine
PubChem CID138605707
Molecular FormulaC35H20FNO
Molecular Weight489.55 g/mol
Exact Mass489.15
IUPAC Name8-dibenzofuran-3-yl-6-(4-fluorophenyl)benzo[k]phenanthridine
SMILESFc1ccc(-c2nc3ccccc3c3c2cc(-c2ccc4c(c2)oc2ccccc24)c2ccccc23)cc1
InChIInChI=1S/C35H20FNO/c36-23-16-13-21(14-17-23)35-30-20-29(22-15-18-26-25-8-4-6-12-32(25)38-33(26)19-22)24-7-1-2-9-27(24)34(30)28-10-3-5-11-31(28)37-35/h1-20H
InChIKeyPJNUGPYRMFXAPO-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 8-dibenzofuran-3-yl-6-(4-fluorophenyl)benzo[k]phenanthridine?
The IUPAC name of 8-dibenzofuran-3-yl-6-(4-fluorophenyl)benzo[k]phenanthridine (CID 138605707) is 8-dibenzofuran-3-yl-6-(4-fluorophenyl)benzo[k]phenanthridine.
What is the SMILES notation for 8-dibenzofuran-3-yl-6-(4-fluorophenyl)benzo[k]phenanthridine?
The canonical SMILES for 8-dibenzofuran-3-yl-6-(4-fluorophenyl)benzo[k]phenanthridine is Fc1ccc(-c2nc3ccccc3c3c2cc(-c2ccc4c(c2)oc2ccccc24)c2ccccc23)cc1.
What is the InChIKey of 8-dibenzofuran-3-yl-6-(4-fluorophenyl)benzo[k]phenanthridine?
The InChIKey is PJNUGPYRMFXAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20FNO/c36-23-16-13-21(14-17-23)35-30-20-29(22-15-18-26-25-8-4-6-12-32(25)38-33(26)19-22)24-7-1-2-9-27(24)34(30)28-10-3-5-11-31(28)37-35/h1-20H.
What are the key properties of 8-dibenzofuran-3-yl-6-(4-fluorophenyl)benzo[k]phenanthridine?
8-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 8-dibenzofuran-3-yl-6-(4-fluorophenyl)benzo[k]phenanthridine is sourced from PubChem (CID 138605707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).