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

C144H104S6 — CID 163715242

IUPAC4-(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
SMILESCc1ccc(-c2cccc3c2sc2c(-c4ccccc4)cccc23)cc1.Cc1cccc(-c2cccc3c2sc2c(-c4ccc(-c5ccccc5)cc4)cccc23)c1.Cc1cccc(-c2cccc3c2sc2c(-c4ccccc4)cccc23)c1.Cc1cccc(-c2cccc3c2sc2ccccc23)c1.Cc1cccc2c1sc1c(-c3ccc(-c4ccccc4)cc3)cccc12.Cc1cccc2c1sc1c(-c3ccccc3)cccc12
InChIInChI=1S/C31H22S.3C25H18S.2C19H14S/c1-21-8-5-11-25(20-21)27-13-7-15-29-28-14-6-12-26(30(28)32-31(27)29)24-18-16-23(17-19-24)22-9-3-2-4-10-22;1-17-8-5-11-19(16-17)21-13-7-15-23-22-14-6-12-20(24(22)26-25(21)23)18-9-3-2-4-10-18;1-17-7-5-11-22-23-12-6-10-21(25(23)26-24(17)22)20-15-13-19(14-16-20)18-8-3-2-4-9-18;1-17-13-15-19(16-14-17)21-10-6-12-23-22-11-5-9-20(24(22)26-25(21)23)18-7-3-2-4-8-18;1-13-6-4-7-14(12-13)15-9-5-10-17-16-8-2-3-11-18(16)20-19(15)17;1-13-7-5-11-16-17-12-6-10-15(19(17)20-18(13)16)14-8-3-2-4-9-14/h2-20H,1H3;3*2-16H,1H3;2*2-12H,1H3
InChIKeyKMTUZDQNJIJFHQ-UHFFFAOYSA-N
MW2026.82 g/mol
LogP44.51
Rot. Bonds11

About 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

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 (PubChem CID 163715242) has the molecular formula C144H104S6 and a molecular weight of 2026.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID163715242
Molecular FormulaC144H104S6
Molecular Weight2026.82 g/mol
Exact Mass2024.65
IUPAC Name4-(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
SMILESCc1ccc(-c2cccc3c2sc2c(-c4ccccc4)cccc23)cc1.Cc1cccc(-c2cccc3c2sc2c(-c4ccc(-c5ccccc5)cc4)cccc23)c1.Cc1cccc(-c2cccc3c2sc2c(-c4ccccc4)cccc23)c1.Cc1cccc(-c2cccc3c2sc2ccccc23)c1.Cc1cccc2c1sc1c(-c3ccc(-c4ccccc4)cc3)cccc12.Cc1cccc2c1sc1c(-c3ccccc3)cccc12
InChIInChI=1S/C31H22S.3C25H18S.2C19H14S/c1-21-8-5-11-25(20-21)27-13-7-15-29-28-14-6-12-26(30(28)32-31(27)29)24-18-16-23(17-19-24)22-9-3-2-4-10-22;1-17-8-5-11-19(16-17)21-13-7-15-23-22-14-6-12-20(24(22)26-25(21)23)18-9-3-2-4-10-18;1-17-7-5-11-22-23-12-6-10-21(25(23)26-24(17)22)20-15-13-19(14-16-20)18-8-3-2-4-9-18;1-17-13-15-19(16-14-17)21-10-6-12-23-22-11-5-9-20(24(22)26-25(21)23)18-7-3-2-4-8-18;1-13-6-4-7-14(12-13)15-9-5-10-17-16-8-2-3-11-18(16)20-19(15)17;1-13-7-5-11-16-17-12-6-10-15(19(17)20-18(13)16)14-8-3-2-4-9-14/h2-20H,1H3;3*2-16H,1H3;2*2-12H,1H3
InChIKeyKMTUZDQNJIJFHQ-UHFFFAOYSA-N
XLogP44.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002026.82
LogP ≤ 544.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 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
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
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
4-(3-methyl-4-phenylphenyl)dibenzothiophene
CID 146397381
4-(4-methylphenyl)dibenzothiophene;methylphosphane
CID 142353145
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
2-(3-dibenzothiophen-4-ylphenyl)-4-[4-(3-methylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170201940
4-(3-methyl-5-phenylphenyl)dibenzothiophene
CID 129266975
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-methyl-N-(4-phenylphenyl)aniline
CID 121261297
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-4-phenylaniline;toluene
CID 144660342
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2cccc3c2sc2c(-c4ccccc4)cccc23)cc1.Cc1cccc(-c2cccc3c2sc2c(-c4ccc(-c5ccccc5)cc4)cccc23)c1.Cc1cccc(-c2cccc3c2sc2c(-c4ccccc4)cccc23)c1.Cc1cccc(-c2cccc3c2sc2ccccc23)c1.Cc1cccc2c1sc1c(-c3ccc(-c4ccccc4)cc3)cccc12.Cc1cccc2c1sc1c(-c3ccccc3)cccc12.
What is the InChIKey of 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?
The InChIKey is KMTUZDQNJIJFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22S.3C25H18S.2C19H14S/c1-21-8-5-11-25(20-21)27-13-7-15-29-28-14-6-12-26(30(28)32-31(27)29)24-18-16-23(17-19-24)22-9-3-2-4-10-22;1-17-8-5-11-19(16-17)21-13-7-15-23-22-14-6-12-20(24(22)26-25(21)23)18-9-3-2-4-10-18;1-17-7-5-11-22-23-12-6-10-21(25(23)26-24(17)22)20-15-13-19(14-16-20)18-8-3-2-4-9-18;1-17-13-15-19(16-14-17)21-10-6-12-23-22-11-5-9-20(24(22)26-25(21)23)18-7-3-2-4-8-18;1-13-6-4-7-14(12-13)15-9-5-10-17-16-8-2-3-11-18(16)20-19(15)17;1-13-7-5-11-16-17-12-6-10-15(19(17)20-18(13)16)14-8-3-2-4-9-14/h2-20H,1H3;3*2-16H,1H3;2*2-12H,1H3.
What are the key properties of 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?
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 has a molecular weight of 2026.82 g/mol, XLogP of 44.51, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163715242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).