2-dibenzofuran-2-yl-2-(2-fluorophenyl)furo[2,3-b]xanthene-11-carbaldehyde

C34H19FO4 — CID 19426482

IUPAC2-dibenzofuran-2-yl-2-(2-fluorophenyl)furo[2,3-b]xanthene-11-carbaldehyde
SMILESO=Cc1c2c(cc3c1=Cc1ccccc1O3)=CC(c1ccc3oc4ccccc4c3c1)(c1ccccc1F)O2
InChIInChI=1S/C34H19FO4/c35-28-10-4-3-9-27(28)34(22-13-14-31-25(17-22)23-8-2-6-12-30(23)38-31)18-21-16-32-24(26(19-36)33(21)39-34)15-20-7-1-5-11-29(20)37-32/h1-19H
InChIKeyMCJUGEHTCCAOED-UHFFFAOYSA-N
MW510.52 g/mol
LogP6.59
Rot. Bonds3

About 2-dibenzofuran-2-yl-2-(2-fluorophenyl)furo[2,3-b]xanthene-11-carbaldehyde

2-dibenzofuran-2-yl-2-(2-fluorophenyl)furo[2,3-b]xanthene-11-carbaldehyde (PubChem CID 19426482) has the molecular formula C34H19FO4 and a molecular weight of 510.52 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-2-(2-fluorophenyl)furo[2,3-b]xanthene-11-carbaldehyde.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-2-(2-fluorophenyl)furo[2,3-b]xanthene-11-carbaldehyde
PubChem CID19426482
Molecular FormulaC34H19FO4
Molecular Weight510.52 g/mol
Exact Mass510.13
IUPAC Name2-dibenzofuran-2-yl-2-(2-fluorophenyl)furo[2,3-b]xanthene-11-carbaldehyde
SMILESO=Cc1c2c(cc3c1=Cc1ccccc1O3)=CC(c1ccc3oc4ccccc4c3c1)(c1ccccc1F)O2
InChIInChI=1S/C34H19FO4/c35-28-10-4-3-9-27(28)34(22-13-14-31-25(17-22)23-8-2-6-12-30(23)38-31)18-21-16-32-24(26(19-36)33(21)39-34)15-20-7-1-5-11-29(20)37-32/h1-19H
InChIKeyMCJUGEHTCCAOED-UHFFFAOYSA-N
XLogP6.59
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.52
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-2-(2-fluorophenyl)furo[2,3-b]xanthene-11-carbaldehyde?
The IUPAC name of 2-dibenzofuran-2-yl-2-(2-fluorophenyl)furo[2,3-b]xanthene-11-carbaldehyde (CID 19426482) is 2-dibenzofuran-2-yl-2-(2-fluorophenyl)furo[2,3-b]xanthene-11-carbaldehyde.
What is the SMILES notation for 2-dibenzofuran-2-yl-2-(2-fluorophenyl)furo[2,3-b]xanthene-11-carbaldehyde?
The canonical SMILES for 2-dibenzofuran-2-yl-2-(2-fluorophenyl)furo[2,3-b]xanthene-11-carbaldehyde is O=Cc1c2c(cc3c1=Cc1ccccc1O3)=CC(c1ccc3oc4ccccc4c3c1)(c1ccccc1F)O2.
What is the InChIKey of 2-dibenzofuran-2-yl-2-(2-fluorophenyl)furo[2,3-b]xanthene-11-carbaldehyde?
The InChIKey is MCJUGEHTCCAOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19FO4/c35-28-10-4-3-9-27(28)34(22-13-14-31-25(17-22)23-8-2-6-12-30(23)38-31)18-21-16-32-24(26(19-36)33(21)39-34)15-20-7-1-5-11-29(20)37-32/h1-19H.
What are the key properties of 2-dibenzofuran-2-yl-2-(2-fluorophenyl)furo[2,3-b]xanthene-11-carbaldehyde?
2-dibenzofuran-2-yl-2-(2-fluorophenyl)furo[2,3-b]xanthene-11-carbaldehyde has a molecular weight of 510.52 g/mol, XLogP of 6.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-2-(2-fluorophenyl)furo[2,3-b]xanthene-11-carbaldehyde is sourced from PubChem (CID 19426482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).