2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;2-methyl-8-phenyldibenzothiophene;4-(2-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene

C133H98S7 — CID 161498308

IUPAC2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;2-methyl-8-phenyldibenzothiophene;4-(2-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene
SMILESCc1ccc(-c2ccc3sc4ccccc4c3c2)cc1.Cc1ccc(-c2cccc3c2sc2ccccc23)cc1.Cc1ccc2sc3ccc(-c4ccccc4)cc3c2c1.Cc1cccc(-c2ccc3sc4ccccc4c3c2)c1.Cc1cccc(-c2cccc3c2sc2ccccc23)c1.Cc1ccccc1-c1ccc2sc3ccccc3c2c1.Cc1ccccc1-c1cccc2c1sc1ccccc12
InChIInChI=1S/7C19H14S/c1-13-6-4-7-14(12-13)15-9-5-10-17-16-8-2-3-11-18(16)20-19(15)17;1-13-7-2-3-8-14(13)16-10-6-11-17-15-9-4-5-12-18(15)20-19(16)17;1-13-5-4-6-14(11-13)15-9-10-19-17(12-15)16-7-2-3-8-18(16)20-19;1-13-6-2-3-7-15(13)14-10-11-19-17(12-14)16-8-4-5-9-18(16)20-19;1-13-9-11-14(12-10-13)15-6-4-7-17-16-5-2-3-8-18(16)20-19(15)17;1-13-6-8-14(9-7-13)15-10-11-19-17(12-15)16-4-2-3-5-18(16)20-19;1-13-7-9-18-16(11-13)17-12-15(8-10-19(17)20-18)14-5-3-2-4-6-14/h7*2-12H,1H3
InChIKeyWGMUQJPVLPGWTJ-UHFFFAOYSA-N
MW1920.72 g/mol
LogP42.21
Rot. Bonds7

About 2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;2-methyl-8-phenyldibenzothiophene;4-(2-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene

2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;2-methyl-8-phenyldibenzothiophene;4-(2-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene (PubChem CID 161498308) has the molecular formula C133H98S7 and a molecular weight of 1920.72 g/mol. Its IUPAC name is 2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;2-methyl-8-phenyldibenzothiophene;4-(2-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene.

Molecular Properties

Compound Name2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;2-methyl-8-phenyldibenzothiophene;4-(2-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene
PubChem CID161498308
Molecular FormulaC133H98S7
Molecular Weight1920.72 g/mol
Exact Mass1918.57
IUPAC Name2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;2-methyl-8-phenyldibenzothiophene;4-(2-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene
SMILESCc1ccc(-c2ccc3sc4ccccc4c3c2)cc1.Cc1ccc(-c2cccc3c2sc2ccccc23)cc1.Cc1ccc2sc3ccc(-c4ccccc4)cc3c2c1.Cc1cccc(-c2ccc3sc4ccccc4c3c2)c1.Cc1cccc(-c2cccc3c2sc2ccccc23)c1.Cc1ccccc1-c1ccc2sc3ccccc3c2c1.Cc1ccccc1-c1cccc2c1sc1ccccc12
InChIInChI=1S/7C19H14S/c1-13-6-4-7-14(12-13)15-9-5-10-17-16-8-2-3-11-18(16)20-19(15)17;1-13-7-2-3-8-14(13)16-10-6-11-17-15-9-4-5-12-18(15)20-19(16)17;1-13-5-4-6-14(11-13)15-9-10-19-17(12-15)16-7-2-3-8-18(16)20-19;1-13-6-2-3-7-15(13)14-10-11-19-17(12-14)16-8-4-5-9-18(16)20-19;1-13-9-11-14(12-10-13)15-6-4-7-17-16-5-2-3-8-18(16)20-19(15)17;1-13-6-8-14(9-7-13)15-10-11-19-17(12-15)16-4-2-3-5-18(16)20-19;1-13-7-9-18-16(11-13)17-12-15(8-10-19(17)20-18)14-5-3-2-4-6-14/h7*2-12H,1H3
InChIKeyWGMUQJPVLPGWTJ-UHFFFAOYSA-N
XLogP42.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms140
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001920.72
LogP ≤ 542.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;2-methyl-8-phenyldibenzothiophene;4-(2-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene with MolForge

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Related Compounds

2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;4-(2-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene;4-methyl-6-phenyldibenzothiophene
CID 161143963
4-(2-methylphenyl)dibenzofuran;2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene
CID 158111097
1-(2-methylphenyl)dibenzofuran;bis(1-(3-methylphenyl)dibenzofuran);2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene
CID 159452197
4-(2-methylphenyl)dibenzofuran;4-(3-methylphenyl)dibenzofuran;4-(4-methylphenyl)dibenzofuran;2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene
CID 158800046
4-(3-methylphenyl)dibenzothiophene;4-methyl-6-phenyldibenzothiophene;4-(3-methylphenyl)-6-phenyldibenzothiophene;4-(4-methylphenyl)-6-phenyldibenzothiophene;4-methyl-6-(4-phenylphenyl)dibenzothiophene;4-(3-methylphenyl)-6-(4-phenylphenyl)dibenzothiophene
CID 163715242
4-methyldibenzothiophene;1-methyl-3-(4-phenylphenyl)benzene;1-methyl-4-(4-phenylphenyl)benzene;2-[3-(3-methylphenyl)phenyl]triphenylene;2-[3-(4-methylphenyl)phenyl]triphenylene;2-(3-methylphenyl)triphenylene;2-methyltriphenylene
CID 159755832
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-4-phenylaniline;toluene
CID 144660342
4-(3-methyl-4-phenylphenyl)dibenzothiophene
CID 146397381
5-N-(4-dibenzothiophen-2-ylphenyl)-1-N-(4-dibenzothiophen-4-ylphenyl)-3-N,3-N-bis(3-methylphenyl)-1-N,5-N-diphenylbenzene-1,3,5-triamine
CID 118605046
2-(3-dibenzothiophen-4-ylphenyl)-4-[4-(3-methylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170201940
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
6-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-2-[6-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophen-1-yl]dibenzothiophene
CID 153066120

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;2-methyl-8-phenyldibenzothiophene;4-(2-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene?
The IUPAC name of 2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;2-methyl-8-phenyldibenzothiophene;4-(2-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene (CID 161498308) is 2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;2-methyl-8-phenyldibenzothiophene;4-(2-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene.
What is the SMILES notation for 2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;2-methyl-8-phenyldibenzothiophene;4-(2-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene?
The canonical SMILES for 2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;2-methyl-8-phenyldibenzothiophene;4-(2-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene is Cc1ccc(-c2ccc3sc4ccccc4c3c2)cc1.Cc1ccc(-c2cccc3c2sc2ccccc23)cc1.Cc1ccc2sc3ccc(-c4ccccc4)cc3c2c1.Cc1cccc(-c2ccc3sc4ccccc4c3c2)c1.Cc1cccc(-c2cccc3c2sc2ccccc23)c1.Cc1ccccc1-c1ccc2sc3ccccc3c2c1.Cc1ccccc1-c1cccc2c1sc1ccccc12.
What is the InChIKey of 2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;2-methyl-8-phenyldibenzothiophene;4-(2-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene?
The InChIKey is WGMUQJPVLPGWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/7C19H14S/c1-13-6-4-7-14(12-13)15-9-5-10-17-16-8-2-3-11-18(16)20-19(15)17;1-13-7-2-3-8-14(13)16-10-6-11-17-15-9-4-5-12-18(15)20-19(16)17;1-13-5-4-6-14(11-13)15-9-10-19-17(12-15)16-7-2-3-8-18(16)20-19;1-13-6-2-3-7-15(13)14-10-11-19-17(12-14)16-8-4-5-9-18(16)20-19;1-13-9-11-14(12-10-13)15-6-4-7-17-16-5-2-3-8-18(16)20-19(15)17;1-13-6-8-14(9-7-13)15-10-11-19-17(12-15)16-4-2-3-5-18(16)20-19;1-13-7-9-18-16(11-13)17-12-15(8-10-19(17)20-18)14-5-3-2-4-6-14/h7*2-12H,1H3.
What are the key properties of 2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;2-methyl-8-phenyldibenzothiophene;4-(2-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene?
2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;2-methyl-8-phenyldibenzothiophene;4-(2-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene has a molecular weight of 1920.72 g/mol, XLogP of 42.21, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;2-methyl-8-phenyldibenzothiophene;4-(2-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene is sourced from PubChem (CID 161498308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).