6-chloro-2-dibenzothiophen-4-yl-[1]benzofuro[3,2-f][1,3]benzoxazole

C25H12ClNO2S — CID 167129328

IUPAC6-chloro-2-dibenzothiophen-4-yl-[1]benzofuro[3,2-f][1,3]benzoxazole
SMILESClc1ccc2oc3cc4oc(-c5cccc6c5sc5ccccc56)nc4cc3c2c1
InChIInChI=1S/C25H12ClNO2S/c26-13-8-9-20-17(10-13)18-11-19-22(12-21(18)28-20)29-25(27-19)16-6-3-5-15-14-4-1-2-7-23(14)30-24(15)16/h1-12H
InChIKeyVVPSZQTZJGXSGP-UHFFFAOYSA-N
MW425.90 g/mol
LogP8.42
Rot. Bonds1

About 6-chloro-2-dibenzothiophen-4-yl-[1]benzofuro[3,2-f][1,3]benzoxazole

6-chloro-2-dibenzothiophen-4-yl-[1]benzofuro[3,2-f][1,3]benzoxazole (PubChem CID 167129328) has the molecular formula C25H12ClNO2S and a molecular weight of 425.90 g/mol. Its IUPAC name is 6-chloro-2-dibenzothiophen-4-yl-[1]benzofuro[3,2-f][1,3]benzoxazole.

Molecular Properties

Compound Name6-chloro-2-dibenzothiophen-4-yl-[1]benzofuro[3,2-f][1,3]benzoxazole
PubChem CID167129328
Molecular FormulaC25H12ClNO2S
Molecular Weight425.90 g/mol
Exact Mass425.03
IUPAC Name6-chloro-2-dibenzothiophen-4-yl-[1]benzofuro[3,2-f][1,3]benzoxazole
SMILESClc1ccc2oc3cc4oc(-c5cccc6c5sc5ccccc56)nc4cc3c2c1
InChIInChI=1S/C25H12ClNO2S/c26-13-8-9-20-17(10-13)18-11-19-22(12-21(18)28-20)29-25(27-19)16-6-3-5-15-14-4-1-2-7-23(14)30-24(15)16/h1-12H
InChIKeyVVPSZQTZJGXSGP-UHFFFAOYSA-N
XLogP8.42
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.90
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-dibenzothiophen-4-yl-[1]benzothiolo[3,2-f][1,3]benzoxazole
CID 171456524
2-dibenzothiophen-4-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1]benzofuro[3,2-f][1,3]benzoxazole
CID 170776704
6-chloro-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazole
CID 167128478
2-(8-chlorodibenzofuran-3-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 170399724
2-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-1,3-benzoxazole
CID 67888381
2-dibenzothiophen-4-yldibenzofuran
CID 137466632
6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazole
CID 167128168
2-chloro-8-dibenzothiophen-2-yldibenzofuran
CID 147232999
2-dibenzothiophen-4-yl-4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 167346712
2,8-bis(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzofuran
CID 139572206
N-(4-dibenzothiophen-4-ylphenyl)-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 167129750
2-dibenzothiophen-4-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166952521

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-dibenzothiophen-4-yl-[1]benzofuro[3,2-f][1,3]benzoxazole?
The IUPAC name of 6-chloro-2-dibenzothiophen-4-yl-[1]benzofuro[3,2-f][1,3]benzoxazole (CID 167129328) is 6-chloro-2-dibenzothiophen-4-yl-[1]benzofuro[3,2-f][1,3]benzoxazole.
What is the SMILES notation for 6-chloro-2-dibenzothiophen-4-yl-[1]benzofuro[3,2-f][1,3]benzoxazole?
The canonical SMILES for 6-chloro-2-dibenzothiophen-4-yl-[1]benzofuro[3,2-f][1,3]benzoxazole is Clc1ccc2oc3cc4oc(-c5cccc6c5sc5ccccc56)nc4cc3c2c1.
What is the InChIKey of 6-chloro-2-dibenzothiophen-4-yl-[1]benzofuro[3,2-f][1,3]benzoxazole?
The InChIKey is VVPSZQTZJGXSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H12ClNO2S/c26-13-8-9-20-17(10-13)18-11-19-22(12-21(18)28-20)29-25(27-19)16-6-3-5-15-14-4-1-2-7-23(14)30-24(15)16/h1-12H.
What are the key properties of 6-chloro-2-dibenzothiophen-4-yl-[1]benzofuro[3,2-f][1,3]benzoxazole?
6-chloro-2-dibenzothiophen-4-yl-[1]benzofuro[3,2-f][1,3]benzoxazole has a molecular weight of 425.90 g/mol, XLogP of 8.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-dibenzothiophen-4-yl-[1]benzofuro[3,2-f][1,3]benzoxazole is sourced from PubChem (CID 167129328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).