3-(3,6-dimethyl-1-benzothiophen-2-yl)-4-ethenyldibenzothiophene

C24H18S2 — CID 145017993

IUPAC3-(3,6-dimethyl-1-benzothiophen-2-yl)-4-ethenyldibenzothiophene
SMILESC=Cc1c(-c2sc3cc(C)ccc3c2C)ccc2c1sc1ccccc12
InChIInChI=1S/C24H18S2/c1-4-16-19(23-15(3)17-10-9-14(2)13-22(17)26-23)11-12-20-18-7-5-6-8-21(18)25-24(16)20/h4-13H,1H2,2-3H3
InChIKeyBMQBYXSAKJCSRS-UHFFFAOYSA-N
MW370.54 g/mol
LogP8.20
Rot. Bonds2

About 3-(3,6-dimethyl-1-benzothiophen-2-yl)-4-ethenyldibenzothiophene

3-(3,6-dimethyl-1-benzothiophen-2-yl)-4-ethenyldibenzothiophene (PubChem CID 145017993) has the molecular formula C24H18S2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 3-(3,6-dimethyl-1-benzothiophen-2-yl)-4-ethenyldibenzothiophene.

Molecular Properties

Compound Name3-(3,6-dimethyl-1-benzothiophen-2-yl)-4-ethenyldibenzothiophene
PubChem CID145017993
Molecular FormulaC24H18S2
Molecular Weight370.54 g/mol
Exact Mass370.08
IUPAC Name3-(3,6-dimethyl-1-benzothiophen-2-yl)-4-ethenyldibenzothiophene
SMILESC=Cc1c(-c2sc3cc(C)ccc3c2C)ccc2c1sc1ccccc12
InChIInChI=1S/C24H18S2/c1-4-16-19(23-15(3)17-10-9-14(2)13-22(17)26-23)11-12-20-18-7-5-6-8-21(18)25-24(16)20/h4-13H,1H2,2-3H3
InChIKeyBMQBYXSAKJCSRS-UHFFFAOYSA-N
XLogP8.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7-methyldibenzothiophen-4-yl)-[1]benzothiolo[2,3-c]pyridine
CID 162500388
bis(1-methyldibenzothiophene);bis(2-methyldibenzothiophene);bis(3-methyldibenzothiophene);4-methyldibenzothiophene;toluene
CID 157283960
5-methyl-9,9-diphenyl-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 148679241
1-methyldibenzothiophene;2-methyldibenzothiophene;bis(3-methyldibenzothiophene);bis(4-methyldibenzothiophene);toluene
CID 158815126
bis(1-methyldibenzothiophene);bis(2-methyldibenzothiophene);tris(3-methyldibenzothiophene);bis(4-methyldibenzothiophene);toluene
CID 158221081
4-(4-methylphenyl)dibenzothiophene;methylphosphane
CID 142353145
5-methyl-2-(3-methyl-1-benzothiophen-2-yl)-3-(4-methylphenyl)-1H-indole
CID 176907994
7-methyl-N-(2-methylphenyl)dibenzothiophen-4-amine
CID 144687607
7,7,9-trimethylfluoreno[2,3-b][1]benzothiole
CID 129267057
1,4-dimethyldibenzothiophene;1,7-dimethyldibenzothiophene;1,8-dimethyldibenzothiophene;1,9-dimethyldibenzothiophene;2,6-dimethyldibenzothiophene;3,6-dimethyldibenzothiophene;2,7,9,9-tetramethylfluorene
CID 160691046
1-N-dibenzothiophen-4-yl-6-N-(7-methyldibenzothiophen-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 170062740
4-fluoro-3,7-dimethyldibenzothiophene
CID 146657158

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dimethyl-1-benzothiophen-2-yl)-4-ethenyldibenzothiophene?
The IUPAC name of 3-(3,6-dimethyl-1-benzothiophen-2-yl)-4-ethenyldibenzothiophene (CID 145017993) is 3-(3,6-dimethyl-1-benzothiophen-2-yl)-4-ethenyldibenzothiophene.
What is the SMILES notation for 3-(3,6-dimethyl-1-benzothiophen-2-yl)-4-ethenyldibenzothiophene?
The canonical SMILES for 3-(3,6-dimethyl-1-benzothiophen-2-yl)-4-ethenyldibenzothiophene is C=Cc1c(-c2sc3cc(C)ccc3c2C)ccc2c1sc1ccccc12.
What is the InChIKey of 3-(3,6-dimethyl-1-benzothiophen-2-yl)-4-ethenyldibenzothiophene?
The InChIKey is BMQBYXSAKJCSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18S2/c1-4-16-19(23-15(3)17-10-9-14(2)13-22(17)26-23)11-12-20-18-7-5-6-8-21(18)25-24(16)20/h4-13H,1H2,2-3H3.
What are the key properties of 3-(3,6-dimethyl-1-benzothiophen-2-yl)-4-ethenyldibenzothiophene?
3-(3,6-dimethyl-1-benzothiophen-2-yl)-4-ethenyldibenzothiophene has a molecular weight of 370.54 g/mol, XLogP of 8.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dimethyl-1-benzothiophen-2-yl)-4-ethenyldibenzothiophene is sourced from PubChem (CID 145017993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).