2-(7-dibenzothiophen-4-ylnaphthalen-2-yl)-1,3-benzoxazole

C29H17NOS — CID 67888376

IUPAC2-(7-dibenzothiophen-4-ylnaphthalen-2-yl)-1,3-benzoxazole
SMILESc1ccc2oc(-c3ccc4ccc(-c5cccc6c5sc5ccccc56)cc4c3)nc2c1
InChIInChI=1S/C29H17NOS/c1-4-11-27-23(6-1)24-8-5-7-22(28(24)32-27)19-14-12-18-13-15-20(17-21(18)16-19)29-30-25-9-2-3-10-26(25)31-29/h1-17H
InChIKeySCZMAHOVONGWKH-UHFFFAOYSA-N
MW427.53 g/mol
LogP8.68
Rot. Bonds2

About 2-(7-dibenzothiophen-4-ylnaphthalen-2-yl)-1,3-benzoxazole

2-(7-dibenzothiophen-4-ylnaphthalen-2-yl)-1,3-benzoxazole (PubChem CID 67888376) has the molecular formula C29H17NOS and a molecular weight of 427.53 g/mol. Its IUPAC name is 2-(7-dibenzothiophen-4-ylnaphthalen-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(7-dibenzothiophen-4-ylnaphthalen-2-yl)-1,3-benzoxazole
PubChem CID67888376
Molecular FormulaC29H17NOS
Molecular Weight427.53 g/mol
Exact Mass427.10
IUPAC Name2-(7-dibenzothiophen-4-ylnaphthalen-2-yl)-1,3-benzoxazole
SMILESc1ccc2oc(-c3ccc4ccc(-c5cccc6c5sc5ccccc56)cc4c3)nc2c1
InChIInChI=1S/C29H17NOS/c1-4-11-27-23(6-1)24-8-5-7-22(28(24)32-27)19-14-12-18-13-15-20(17-21(18)16-19)29-30-25-9-2-3-10-26(25)31-29/h1-17H
InChIKeySCZMAHOVONGWKH-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

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Related Compounds

2-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-1,3-benzoxazole
CID 67888381
2-[4-[6-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole
CID 155356881
2-[3-[6-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole
CID 155357093
2-[4-(2-dibenzothiophen-4-yl-4-phenylthieno[2,3-c]quinolin-1-yl)phenyl]-1,3-benzoxazole
CID 164716297
2-(4-dibenzothiophen-4-ylphenyl)-7-(4-methylphenyl)-1,3-benzoxazole
CID 67888447
2-(4-dibenzothiophen-4-ylphenyl)-7-naphthalen-1-yl-1,3-benzoxazole
CID 67888436
2,5-bis(3-dibenzothiophen-4-ylphenyl)-1,3,4-oxadiazole
CID 70332108
2-dibenzothiophen-4-yldibenzofuran
CID 137466632
[4-[4-[7-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]phenyl]phenyl]-trimethylsilane
CID 169293747
2-[9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-4-yl]-1,3-benzoxazole
CID 146955128
2-[3-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole
CID 155357091
2-[6-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3-benzoxazole
CID 155357200

Frequently Asked Questions

What is the IUPAC name of 2-(7-dibenzothiophen-4-ylnaphthalen-2-yl)-1,3-benzoxazole?
The IUPAC name of 2-(7-dibenzothiophen-4-ylnaphthalen-2-yl)-1,3-benzoxazole (CID 67888376) is 2-(7-dibenzothiophen-4-ylnaphthalen-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(7-dibenzothiophen-4-ylnaphthalen-2-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(7-dibenzothiophen-4-ylnaphthalen-2-yl)-1,3-benzoxazole is c1ccc2oc(-c3ccc4ccc(-c5cccc6c5sc5ccccc56)cc4c3)nc2c1.
What is the InChIKey of 2-(7-dibenzothiophen-4-ylnaphthalen-2-yl)-1,3-benzoxazole?
The InChIKey is SCZMAHOVONGWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17NOS/c1-4-11-27-23(6-1)24-8-5-7-22(28(24)32-27)19-14-12-18-13-15-20(17-21(18)16-19)29-30-25-9-2-3-10-26(25)31-29/h1-17H.
What are the key properties of 2-(7-dibenzothiophen-4-ylnaphthalen-2-yl)-1,3-benzoxazole?
2-(7-dibenzothiophen-4-ylnaphthalen-2-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-(7-dibenzothiophen-4-ylnaphthalen-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 67888376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).