9-[fluoro-(3-pyridin-2-ylphenyl)methyl]-11-pyridin-2-yl-[1]benzofuro[3,2-b]carbazole

C35H22FN3O — CID 140953528

IUPAC9-[fluoro-(3-pyridin-2-ylphenyl)methyl]-11-pyridin-2-yl-[1]benzofuro[3,2-b]carbazole
SMILESFC(c1cccc(-c2ccccn2)c1)c1ccc2c3cc4oc5ccccc5c4cc3n(-c3ccccn3)c2c1
InChIInChI=1S/C35H22FN3O/c36-35(23-9-7-8-22(18-23)29-11-3-5-16-37-29)24-14-15-25-27-21-33-28(26-10-1-2-12-32(26)40-33)20-31(27)39(30(25)19-24)34-13-4-6-17-38-34/h1-21,35H
InChIKeyKNTIETWCGDCYSK-UHFFFAOYSA-N
MW519.58 g/mol
LogP9.20
Rot. Bonds4

About 9-[fluoro-(3-pyridin-2-ylphenyl)methyl]-11-pyridin-2-yl-[1]benzofuro[3,2-b]carbazole

9-[fluoro-(3-pyridin-2-ylphenyl)methyl]-11-pyridin-2-yl-[1]benzofuro[3,2-b]carbazole (PubChem CID 140953528) has the molecular formula C35H22FN3O and a molecular weight of 519.58 g/mol. Its IUPAC name is 9-[fluoro-(3-pyridin-2-ylphenyl)methyl]-11-pyridin-2-yl-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name9-[fluoro-(3-pyridin-2-ylphenyl)methyl]-11-pyridin-2-yl-[1]benzofuro[3,2-b]carbazole
PubChem CID140953528
Molecular FormulaC35H22FN3O
Molecular Weight519.58 g/mol
Exact Mass519.17
IUPAC Name9-[fluoro-(3-pyridin-2-ylphenyl)methyl]-11-pyridin-2-yl-[1]benzofuro[3,2-b]carbazole
SMILESFC(c1cccc(-c2ccccn2)c1)c1ccc2c3cc4oc5ccccc5c4cc3n(-c3ccccn3)c2c1
InChIInChI=1S/C35H22FN3O/c36-35(23-9-7-8-22(18-23)29-11-3-5-16-37-29)24-14-15-25-27-21-33-28(26-10-1-2-12-32(26)40-33)20-31(27)39(30(25)19-24)34-13-4-6-17-38-34/h1-21,35H
InChIKeyKNTIETWCGDCYSK-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

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Frequently Asked Questions

What is the IUPAC name of 9-[fluoro-(3-pyridin-2-ylphenyl)methyl]-11-pyridin-2-yl-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 9-[fluoro-(3-pyridin-2-ylphenyl)methyl]-11-pyridin-2-yl-[1]benzofuro[3,2-b]carbazole (CID 140953528) is 9-[fluoro-(3-pyridin-2-ylphenyl)methyl]-11-pyridin-2-yl-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 9-[fluoro-(3-pyridin-2-ylphenyl)methyl]-11-pyridin-2-yl-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 9-[fluoro-(3-pyridin-2-ylphenyl)methyl]-11-pyridin-2-yl-[1]benzofuro[3,2-b]carbazole is FC(c1cccc(-c2ccccn2)c1)c1ccc2c3cc4oc5ccccc5c4cc3n(-c3ccccn3)c2c1.
What is the InChIKey of 9-[fluoro-(3-pyridin-2-ylphenyl)methyl]-11-pyridin-2-yl-[1]benzofuro[3,2-b]carbazole?
The InChIKey is KNTIETWCGDCYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22FN3O/c36-35(23-9-7-8-22(18-23)29-11-3-5-16-37-29)24-14-15-25-27-21-33-28(26-10-1-2-12-32(26)40-33)20-31(27)39(30(25)19-24)34-13-4-6-17-38-34/h1-21,35H.
What are the key properties of 9-[fluoro-(3-pyridin-2-ylphenyl)methyl]-11-pyridin-2-yl-[1]benzofuro[3,2-b]carbazole?
9-[fluoro-(3-pyridin-2-ylphenyl)methyl]-11-pyridin-2-yl-[1]benzofuro[3,2-b]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 9-[fluoro-(3-pyridin-2-ylphenyl)methyl]-11-pyridin-2-yl-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 140953528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).