3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole

C35H22FN3O — CID 140952640

IUPAC3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole
SMILESFC(c1cccc(-c2ccccn2)c1)c1ccc2c3c4oc5ccccc5c4ccc3n(-c3ccccn3)c2c1
InChIInChI=1S/C35H22FN3O/c36-34(23-9-7-8-22(20-23)28-11-3-5-18-37-28)24-14-15-27-30(21-24)39(32-13-4-6-19-38-32)29-17-16-26-25-10-1-2-12-31(25)40-35(26)33(27)29/h1-21,34H
InChIKeyHDCPXMZZBVGWDX-UHFFFAOYSA-N
MW519.58 g/mol
LogP9.20
Rot. Bonds4

About 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole

3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole (PubChem CID 140952640) has the molecular formula C35H22FN3O and a molecular weight of 519.58 g/mol. Its IUPAC name is 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole
PubChem CID140952640
Molecular FormulaC35H22FN3O
Molecular Weight519.58 g/mol
Exact Mass519.17
IUPAC Name3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole
SMILESFC(c1cccc(-c2ccccn2)c1)c1ccc2c3c4oc5ccccc5c4ccc3n(-c3ccccn3)c2c1
InChIInChI=1S/C35H22FN3O/c36-34(23-9-7-8-22(20-23)28-11-3-5-18-37-28)24-14-15-27-30(21-24)39(32-13-4-6-19-38-32)29-17-16-26-25-10-1-2-12-31(25)40-35(26)33(27)29/h1-21,34H
InChIKeyHDCPXMZZBVGWDX-UHFFFAOYSA-N
XLogP9.20
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.58
LogP ≤ 59.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole (CID 140952640) is 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole is FC(c1cccc(-c2ccccn2)c1)c1ccc2c3c4oc5ccccc5c4ccc3n(-c3ccccn3)c2c1.
What is the InChIKey of 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole?
The InChIKey is HDCPXMZZBVGWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22FN3O/c36-34(23-9-7-8-22(20-23)28-11-3-5-18-37-28)24-14-15-27-30(21-24)39(32-13-4-6-19-38-32)29-17-16-26-25-10-1-2-12-31(25)40-35(26)33(27)29/h1-21,34H.
What are the key properties of 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole?
3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole has a molecular weight of 519.58 g/mol, XLogP of 9.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 140952640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).