1-(2-chloro-3-dibenzofuran-2-yloxyphenyl)-3-phenylindazole

C31H19ClN2O2 — CID 170153616

IUPAC1-(2-chloro-3-dibenzofuran-2-yloxyphenyl)-3-phenylindazole
SMILESClc1c(Oc2ccc3oc4ccccc4c3c2)cccc1-n1nc(-c2ccccc2)c2ccccc21
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
InChIKeyVFZOYRKHJZIEDI-UHFFFAOYSA-N
MW486.96 g/mol
LogP9.04
Rot. Bonds4

About 1-(2-chloro-3-dibenzofuran-2-yloxyphenyl)-3-phenylindazole

1-(2-chloro-3-dibenzofuran-2-yloxyphenyl)-3-phenylindazole (PubChem CID 170153616) has the molecular formula C31H19ClN2O2 and a molecular weight of 486.96 g/mol. Its IUPAC name is 1-(2-chloro-3-dibenzofuran-2-yloxyphenyl)-3-phenylindazole.

Molecular Properties

Compound Name1-(2-chloro-3-dibenzofuran-2-yloxyphenyl)-3-phenylindazole
PubChem CID170153616
Molecular FormulaC31H19ClN2O2
Molecular Weight486.96 g/mol
Exact Mass486.11
IUPAC Name1-(2-chloro-3-dibenzofuran-2-yloxyphenyl)-3-phenylindazole
SMILESClc1c(Oc2ccc3oc4ccccc4c3c2)cccc1-n1nc(-c2ccccc2)c2ccccc21
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
InChIKeyVFZOYRKHJZIEDI-UHFFFAOYSA-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 ≤ 500486.96
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-dibenzofuran-2-yloxyphenyl)-3-phenylindazole?
The IUPAC name of 1-(2-chloro-3-dibenzofuran-2-yloxyphenyl)-3-phenylindazole (CID 170153616) is 1-(2-chloro-3-dibenzofuran-2-yloxyphenyl)-3-phenylindazole.
What is the SMILES notation for 1-(2-chloro-3-dibenzofuran-2-yloxyphenyl)-3-phenylindazole?
The canonical SMILES for 1-(2-chloro-3-dibenzofuran-2-yloxyphenyl)-3-phenylindazole is Clc1c(Oc2ccc3oc4ccccc4c3c2)cccc1-n1nc(-c2ccccc2)c2ccccc21.
What is the InChIKey of 1-(2-chloro-3-dibenzofuran-2-yloxyphenyl)-3-phenylindazole?
The InChIKey is VFZOYRKHJZIEDI-UHFFFAOYSA-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.
What are the key properties of 1-(2-chloro-3-dibenzofuran-2-yloxyphenyl)-3-phenylindazole?
1-(2-chloro-3-dibenzofuran-2-yloxyphenyl)-3-phenylindazole has a molecular weight of 486.96 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-phenylindazole is sourced from PubChem (CID 170153616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).