2-(5-dibenzothiophen-4-ylnaphthalen-1-yl)-1,3-benzoxazole

C29H17NOS — CID 67888386

IUPAC2-(5-dibenzothiophen-4-ylnaphthalen-1-yl)-1,3-benzoxazole
SMILESc1ccc2oc(-c3cccc4c(-c5cccc6c5sc5ccccc56)cccc34)nc2c1
InChIInChI=1S/C29H17NOS/c1-4-17-27-21(8-1)23-13-7-12-22(28(23)32-27)19-10-5-11-20-18(19)9-6-14-24(20)29-30-25-15-2-3-16-26(25)31-29/h1-17H
InChIKeyCJCYZIPOQXOPQO-UHFFFAOYSA-N
MW427.53 g/mol
LogP8.68
Rot. Bonds2

About 2-(5-dibenzothiophen-4-ylnaphthalen-1-yl)-1,3-benzoxazole

2-(5-dibenzothiophen-4-ylnaphthalen-1-yl)-1,3-benzoxazole (PubChem CID 67888386) has the molecular formula C29H17NOS and a molecular weight of 427.53 g/mol. Its IUPAC name is 2-(5-dibenzothiophen-4-ylnaphthalen-1-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(5-dibenzothiophen-4-ylnaphthalen-1-yl)-1,3-benzoxazole
PubChem CID67888386
Molecular FormulaC29H17NOS
Molecular Weight427.53 g/mol
Exact Mass427.10
IUPAC Name2-(5-dibenzothiophen-4-ylnaphthalen-1-yl)-1,3-benzoxazole
SMILESc1ccc2oc(-c3cccc4c(-c5cccc6c5sc5ccccc56)cccc34)nc2c1
InChIInChI=1S/C29H17NOS/c1-4-17-27-21(8-1)23-13-7-12-22(28(23)32-27)19-10-5-11-20-18(19)9-6-14-24(20)29-30-25-15-2-3-16-26(25)31-29/h1-17H
InChIKeyCJCYZIPOQXOPQO-UHFFFAOYSA-N
XLogP8.68
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.53
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(5-dibenzothiophen-4-ylnaphthalen-1-yl)-1,3-benzoxazole 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 2-(5-dibenzothiophen-4-ylnaphthalen-1-yl)-1,3-benzoxazole?
The IUPAC name of 2-(5-dibenzothiophen-4-ylnaphthalen-1-yl)-1,3-benzoxazole (CID 67888386) is 2-(5-dibenzothiophen-4-ylnaphthalen-1-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(5-dibenzothiophen-4-ylnaphthalen-1-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(5-dibenzothiophen-4-ylnaphthalen-1-yl)-1,3-benzoxazole is c1ccc2oc(-c3cccc4c(-c5cccc6c5sc5ccccc56)cccc34)nc2c1.
What is the InChIKey of 2-(5-dibenzothiophen-4-ylnaphthalen-1-yl)-1,3-benzoxazole?
The InChIKey is CJCYZIPOQXOPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17NOS/c1-4-17-27-21(8-1)23-13-7-12-22(28(23)32-27)19-10-5-11-20-18(19)9-6-14-24(20)29-30-25-15-2-3-16-26(25)31-29/h1-17H.
What are the key properties of 2-(5-dibenzothiophen-4-ylnaphthalen-1-yl)-1,3-benzoxazole?
2-(5-dibenzothiophen-4-ylnaphthalen-1-yl)-1,3-benzoxazole has a molecular weight of 427.53 g/mol, XLogP of 8.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-dibenzothiophen-4-ylnaphthalen-1-yl)-1,3-benzoxazole is sourced from PubChem (CID 67888386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).