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

C35H21NOS — CID 67888436

IUPAC2-(4-dibenzothiophen-4-ylphenyl)-7-naphthalen-1-yl-1,3-benzoxazole
SMILESc1ccc2c(-c3cccc4nc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)oc34)cccc2c1
InChIInChI=1S/C35H21NOS/c1-2-10-25-22(8-1)9-5-13-27(25)29-14-7-16-31-33(29)37-35(36-31)24-20-18-23(19-21-24)26-12-6-15-30-28-11-3-4-17-32(28)38-34(26)30/h1-21H
InChIKeyYWBSJCIVXXOLNK-UHFFFAOYSA-N
MW503.63 g/mol
LogP10.35
Rot. Bonds3

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

2-(4-dibenzothiophen-4-ylphenyl)-7-naphthalen-1-yl-1,3-benzoxazole (PubChem CID 67888436) has the molecular formula C35H21NOS and a molecular weight of 503.63 g/mol. Its IUPAC name is 2-(4-dibenzothiophen-4-ylphenyl)-7-naphthalen-1-yl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-dibenzothiophen-4-ylphenyl)-7-naphthalen-1-yl-1,3-benzoxazole
PubChem CID67888436
Molecular FormulaC35H21NOS
Molecular Weight503.63 g/mol
Exact Mass503.13
IUPAC Name2-(4-dibenzothiophen-4-ylphenyl)-7-naphthalen-1-yl-1,3-benzoxazole
SMILESc1ccc2c(-c3cccc4nc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)oc34)cccc2c1
InChIInChI=1S/C35H21NOS/c1-2-10-25-22(8-1)9-5-13-27(25)29-14-7-16-31-33(29)37-35(36-31)24-20-18-23(19-21-24)26-12-6-15-30-28-11-3-4-17-32(28)38-34(26)30/h1-21H
InChIKeyYWBSJCIVXXOLNK-UHFFFAOYSA-N
XLogP10.35
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.63
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-dibenzothiophen-4-ylphenyl)-7-(4-methylphenyl)-1,3-benzoxazole
CID 67888447
2-(7-dibenzothiophen-4-ylnaphthalen-2-yl)-1,3-benzoxazole
CID 67888376
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
7-[4-(3-dibenzothiophen-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
CID 176756251
2-dibenzothiophen-4-yl-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[g][1,3]benzoxazole
CID 138633567
2-dibenzofuran-4-yl-4-dibenzothiophen-4-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 163799019
2-(4-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-4-yl-6-(2-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 165160132
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
2-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-1,3-benzoxazole
CID 67888381
N-(4-dibenzothiophen-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-10-amine
CID 167127343
2-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 137496730

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzothiophen-4-ylphenyl)-7-naphthalen-1-yl-1,3-benzoxazole?
The IUPAC name of 2-(4-dibenzothiophen-4-ylphenyl)-7-naphthalen-1-yl-1,3-benzoxazole (CID 67888436) is 2-(4-dibenzothiophen-4-ylphenyl)-7-naphthalen-1-yl-1,3-benzoxazole.
What is the SMILES notation for 2-(4-dibenzothiophen-4-ylphenyl)-7-naphthalen-1-yl-1,3-benzoxazole?
The canonical SMILES for 2-(4-dibenzothiophen-4-ylphenyl)-7-naphthalen-1-yl-1,3-benzoxazole is c1ccc2c(-c3cccc4nc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)oc34)cccc2c1.
What is the InChIKey of 2-(4-dibenzothiophen-4-ylphenyl)-7-naphthalen-1-yl-1,3-benzoxazole?
The InChIKey is YWBSJCIVXXOLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21NOS/c1-2-10-25-22(8-1)9-5-13-27(25)29-14-7-16-31-33(29)37-35(36-31)24-20-18-23(19-21-24)26-12-6-15-30-28-11-3-4-17-32(28)38-34(26)30/h1-21H.
What are the key properties of 2-(4-dibenzothiophen-4-ylphenyl)-7-naphthalen-1-yl-1,3-benzoxazole?
2-(4-dibenzothiophen-4-ylphenyl)-7-naphthalen-1-yl-1,3-benzoxazole has a molecular weight of 503.63 g/mol, XLogP of 10.35, 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-naphthalen-1-yl-1,3-benzoxazole is sourced from PubChem (CID 67888436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).