4-dibenzothiophen-2-yl-3,5-dimethyl-1-phenylpyrazole

C23H18N2S — CID 140715479

IUPAC4-dibenzothiophen-2-yl-3,5-dimethyl-1-phenylpyrazole
SMILESCc1nn(-c2ccccc2)c(C)c1-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C23H18N2S/c1-15-23(16(2)25(24-15)18-8-4-3-5-9-18)17-12-13-22-20(14-17)19-10-6-7-11-21(19)26-22/h3-14H,1-2H3
InChIKeyBCSMWXKDGPNWSF-UHFFFAOYSA-N
MW354.48 g/mol
LogP6.52
Rot. Bonds2

About 4-dibenzothiophen-2-yl-3,5-dimethyl-1-phenylpyrazole

4-dibenzothiophen-2-yl-3,5-dimethyl-1-phenylpyrazole (PubChem CID 140715479) has the molecular formula C23H18N2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 4-dibenzothiophen-2-yl-3,5-dimethyl-1-phenylpyrazole.

Molecular Properties

Compound Name4-dibenzothiophen-2-yl-3,5-dimethyl-1-phenylpyrazole
PubChem CID140715479
Molecular FormulaC23H18N2S
Molecular Weight354.48 g/mol
Exact Mass354.12
IUPAC Name4-dibenzothiophen-2-yl-3,5-dimethyl-1-phenylpyrazole
SMILESCc1nn(-c2ccccc2)c(C)c1-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C23H18N2S/c1-15-23(16(2)25(24-15)18-8-4-3-5-9-18)17-12-13-22-20(14-17)19-10-6-7-11-21(19)26-22/h3-14H,1-2H3
InChIKeyBCSMWXKDGPNWSF-UHFFFAOYSA-N
XLogP6.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.48
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole
CID 135131439
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
10-dibenzothiophen-2-yl-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 166009558
[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenyl]methanamine
CID 61033660
2-dibenzothiophen-2-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 166009400
2-[10-[3-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]dibenzothiophene
CID 153438373
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158199615
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
6,9-di(dibenzothiophen-2-yl)-1,3-diphenylcarbazole
CID 123584276
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylthiochromen-4-one
CID 166441148
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
2-(7-dibenzothiophen-2-yl-9,10-diphenylanthracen-2-yl)dibenzothiophene
CID 59745938

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-2-yl-3,5-dimethyl-1-phenylpyrazole?
The IUPAC name of 4-dibenzothiophen-2-yl-3,5-dimethyl-1-phenylpyrazole (CID 140715479) is 4-dibenzothiophen-2-yl-3,5-dimethyl-1-phenylpyrazole.
What is the SMILES notation for 4-dibenzothiophen-2-yl-3,5-dimethyl-1-phenylpyrazole?
The canonical SMILES for 4-dibenzothiophen-2-yl-3,5-dimethyl-1-phenylpyrazole is Cc1nn(-c2ccccc2)c(C)c1-c1ccc2sc3ccccc3c2c1.
What is the InChIKey of 4-dibenzothiophen-2-yl-3,5-dimethyl-1-phenylpyrazole?
The InChIKey is BCSMWXKDGPNWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2S/c1-15-23(16(2)25(24-15)18-8-4-3-5-9-18)17-12-13-22-20(14-17)19-10-6-7-11-21(19)26-22/h3-14H,1-2H3.
What are the key properties of 4-dibenzothiophen-2-yl-3,5-dimethyl-1-phenylpyrazole?
4-dibenzothiophen-2-yl-3,5-dimethyl-1-phenylpyrazole has a molecular weight of 354.48 g/mol, XLogP of 6.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzothiophen-2-yl-3,5-dimethyl-1-phenylpyrazole is sourced from PubChem (CID 140715479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).