2-(4-dibenzothiophen-4-ylphenyl)-7-(4-methylphenyl)-1,3-benzoxazole

C32H21NOS — CID 67888447

IUPAC2-(4-dibenzothiophen-4-ylphenyl)-7-(4-methylphenyl)-1,3-benzoxazole
SMILESCc1ccc(-c2cccc3nc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)oc23)cc1
InChIInChI=1S/C32H21NOS/c1-20-12-14-21(15-13-20)24-7-5-10-28-30(24)34-32(33-28)23-18-16-22(17-19-23)25-8-4-9-27-26-6-2-3-11-29(26)35-31(25)27/h2-19H,1H3
InChIKeyJNNJUWMOGAAKEC-UHFFFAOYSA-N
MW467.59 g/mol
LogP9.51
Rot. Bonds3

About 2-(4-dibenzothiophen-4-ylphenyl)-7-(4-methylphenyl)-1,3-benzoxazole

2-(4-dibenzothiophen-4-ylphenyl)-7-(4-methylphenyl)-1,3-benzoxazole (PubChem CID 67888447) has the molecular formula C32H21NOS and a molecular weight of 467.59 g/mol. Its IUPAC name is 2-(4-dibenzothiophen-4-ylphenyl)-7-(4-methylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-dibenzothiophen-4-ylphenyl)-7-(4-methylphenyl)-1,3-benzoxazole
PubChem CID67888447
Molecular FormulaC32H21NOS
Molecular Weight467.59 g/mol
Exact Mass467.13
IUPAC Name2-(4-dibenzothiophen-4-ylphenyl)-7-(4-methylphenyl)-1,3-benzoxazole
SMILESCc1ccc(-c2cccc3nc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)oc23)cc1
InChIInChI=1S/C32H21NOS/c1-20-12-14-21(15-13-20)24-7-5-10-28-30(24)34-32(33-28)23-18-16-22(17-19-23)25-8-4-9-27-26-6-2-3-11-29(26)35-31(25)27/h2-19H,1H3
InChIKeyJNNJUWMOGAAKEC-UHFFFAOYSA-N
XLogP9.51
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.59
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-dibenzothiophen-4-ylphenyl)-7-naphthalen-1-yl-1,3-benzoxazole
CID 67888436
4-(4-methylphenyl)dibenzothiophene;methylphosphane
CID 142353145
2-(7-dibenzothiophen-4-ylnaphthalen-2-yl)-1,3-benzoxazole
CID 67888376
7-[4-(3-dibenzothiophen-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
CID 176756251
N-(4-dibenzothiophen-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-g][1,3]benzoxazol-5-amine
CID 171411809
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-(4-dibenzothiophen-4-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 59022100
N-[4-(2-phenyl-1,3-benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 176785597
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
2-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-1,3-benzoxazole
CID 67888381
4-(4-methoxyphenyl)dibenzothiophene
CID 138456987
N-(4-dibenzothiophen-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine
CID 167127343

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzothiophen-4-ylphenyl)-7-(4-methylphenyl)-1,3-benzoxazole?
The IUPAC name of 2-(4-dibenzothiophen-4-ylphenyl)-7-(4-methylphenyl)-1,3-benzoxazole (CID 67888447) is 2-(4-dibenzothiophen-4-ylphenyl)-7-(4-methylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(4-dibenzothiophen-4-ylphenyl)-7-(4-methylphenyl)-1,3-benzoxazole?
The canonical SMILES for 2-(4-dibenzothiophen-4-ylphenyl)-7-(4-methylphenyl)-1,3-benzoxazole is Cc1ccc(-c2cccc3nc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)oc23)cc1.
What is the InChIKey of 2-(4-dibenzothiophen-4-ylphenyl)-7-(4-methylphenyl)-1,3-benzoxazole?
The InChIKey is JNNJUWMOGAAKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21NOS/c1-20-12-14-21(15-13-20)24-7-5-10-28-30(24)34-32(33-28)23-18-16-22(17-19-23)25-8-4-9-27-26-6-2-3-11-29(26)35-31(25)27/h2-19H,1H3.
What are the key properties of 2-(4-dibenzothiophen-4-ylphenyl)-7-(4-methylphenyl)-1,3-benzoxazole?
2-(4-dibenzothiophen-4-ylphenyl)-7-(4-methylphenyl)-1,3-benzoxazole has a molecular weight of 467.59 g/mol, XLogP of 9.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzothiophen-4-ylphenyl)-7-(4-methylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 67888447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).