1-(2-chloro-3-dibenzofuran-2-yloxyphenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)indazole

C31H19ClN2O2 — CID 169279650

IUPAC1-(2-chloro-3-dibenzofuran-2-yloxyphenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)indazole
SMILES[2H]c1c([2H])c([2H])c(-c2nn(-c3cccc(Oc4ccc5oc6ccccc6c5c4)c3Cl)c3ccccc23)c([2H])c1[2H]
InChIInChI=1S/C31H19ClN2O2/c32-30-26(34-25-13-6-4-12-23(25)31(33-34)20-9-2-1-3-10-20)14-8-16-29(30)35-21-17-18-28-24(19-21)22-11-5-7-15-27(22)36-28/h1-19H/i1D,2D,3D,9D,10D
InChIKeyVFZOYRKHJZIEDI-MYWHSQMISA-N
MW491.99 g/mol
LogP9.04
Rot. Bonds4

About 1-(2-chloro-3-dibenzofuran-2-yloxyphenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)indazole

1-(2-chloro-3-dibenzofuran-2-yloxyphenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)indazole (PubChem CID 169279650) has the molecular formula C31H19ClN2O2 and a molecular weight of 491.99 g/mol. Its IUPAC name is 1-(2-chloro-3-dibenzofuran-2-yloxyphenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)indazole.

Molecular Properties

Compound Name1-(2-chloro-3-dibenzofuran-2-yloxyphenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)indazole
PubChem CID169279650
Molecular FormulaC31H19ClN2O2
Molecular Weight491.99 g/mol
Exact Mass491.14
IUPAC Name1-(2-chloro-3-dibenzofuran-2-yloxyphenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)indazole
SMILES[2H]c1c([2H])c([2H])c(-c2nn(-c3cccc(Oc4ccc5oc6ccccc6c5c4)c3Cl)c3ccccc23)c([2H])c1[2H]
InChIInChI=1S/C31H19ClN2O2/c32-30-26(34-25-13-6-4-12-23(25)31(33-34)20-9-2-1-3-10-20)14-8-16-29(30)35-21-17-18-28-24(19-21)22-11-5-7-15-27(22)36-28/h1-19H/i1D,2D,3D,9D,10D
InChIKeyVFZOYRKHJZIEDI-MYWHSQMISA-N
XLogP9.04
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.99
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-chloro-3-dibenzofuran-2-yloxyphenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)indazole 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 1-(2-chloro-3-dibenzofuran-2-yloxyphenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)indazole?
The IUPAC name of 1-(2-chloro-3-dibenzofuran-2-yloxyphenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)indazole (CID 169279650) is 1-(2-chloro-3-dibenzofuran-2-yloxyphenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)indazole.
What is the SMILES notation for 1-(2-chloro-3-dibenzofuran-2-yloxyphenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)indazole?
The canonical SMILES for 1-(2-chloro-3-dibenzofuran-2-yloxyphenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)indazole is [2H]c1c([2H])c([2H])c(-c2nn(-c3cccc(Oc4ccc5oc6ccccc6c5c4)c3Cl)c3ccccc23)c([2H])c1[2H].
What is the InChIKey of 1-(2-chloro-3-dibenzofuran-2-yloxyphenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)indazole?
The InChIKey is VFZOYRKHJZIEDI-MYWHSQMISA-N. The full InChI is InChI=1S/C31H19ClN2O2/c32-30-26(34-25-13-6-4-12-23(25)31(33-34)20-9-2-1-3-10-20)14-8-16-29(30)35-21-17-18-28-24(19-21)22-11-5-7-15-27(22)36-28/h1-19H/i1D,2D,3D,9D,10D.
What are the key properties of 1-(2-chloro-3-dibenzofuran-2-yloxyphenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)indazole?
1-(2-chloro-3-dibenzofuran-2-yloxyphenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)indazole has a molecular weight of 491.99 g/mol, XLogP of 9.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-dibenzofuran-2-yloxyphenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)indazole is sourced from PubChem (CID 169279650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).