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

C133H98O3S4 — CID 159452197

IUPAC1-(2-methylphenyl)dibenzofuran;bis(1-(3-methylphenyl)dibenzofuran);2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene
SMILESCc1ccc(-c2ccc3sc4ccccc4c3c2)cc1.Cc1ccc(-c2cccc3c2sc2ccccc23)cc1.Cc1cccc(-c2ccc3sc4ccccc4c3c2)c1.Cc1cccc(-c2cccc3oc4ccccc4c23)c1.Cc1cccc(-c2cccc3oc4ccccc4c23)c1.Cc1ccccc1-c1ccc2sc3ccccc3c2c1.Cc1ccccc1-c1cccc2oc3ccccc3c12
InChIInChI=1S/3C19H14O.4C19H14S/c2*1-13-6-4-7-14(12-13)15-9-5-11-18-19(15)16-8-2-3-10-17(16)20-18;1-13-7-2-3-8-14(13)15-10-6-12-18-19(15)16-9-4-5-11-17(16)20-18;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/h7*2-12H,1H3
InChIKeyLTNCZTYXSQSDGR-UHFFFAOYSA-N
MW1872.51 g/mol
LogP40.80
Rot. Bonds7

About 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

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 (PubChem CID 159452197) has the molecular formula C133H98O3S4 and a molecular weight of 1872.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(2-methylphenyl)dibenzofuran;bis(1-(3-methylphenyl)dibenzofuran);2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene
PubChem CID159452197
Molecular FormulaC133H98O3S4
Molecular Weight1872.51 g/mol
Exact Mass1870.64
IUPAC Name1-(2-methylphenyl)dibenzofuran;bis(1-(3-methylphenyl)dibenzofuran);2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene
SMILESCc1ccc(-c2ccc3sc4ccccc4c3c2)cc1.Cc1ccc(-c2cccc3c2sc2ccccc23)cc1.Cc1cccc(-c2ccc3sc4ccccc4c3c2)c1.Cc1cccc(-c2cccc3oc4ccccc4c23)c1.Cc1cccc(-c2cccc3oc4ccccc4c23)c1.Cc1ccccc1-c1ccc2sc3ccccc3c2c1.Cc1ccccc1-c1cccc2oc3ccccc3c12
InChIInChI=1S/3C19H14O.4C19H14S/c2*1-13-6-4-7-14(12-13)15-9-5-11-18-19(15)16-8-2-3-10-17(16)20-18;1-13-7-2-3-8-14(13)15-10-6-12-18-19(15)16-9-4-5-11-17(16)20-18;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/h7*2-12H,1H3
InChIKeyLTNCZTYXSQSDGR-UHFFFAOYSA-N
XLogP40.80
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms140
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001872.51
LogP ≤ 540.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
1,8-dimethyldibenzofuran;2,6-dimethyldibenzofuran;2,8-dimethyldibenzofuran;1,8-dimethyldibenzothiophene;2,6-dimethyldibenzothiophene;2,7-dimethyldibenzothiophene;2,8-dimethyldibenzothiophene;3,6-dimethyldibenzothiophene;3,7-dimethyldibenzothiophene;4,6-dimethyldibenzothiophene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 161480425
N,N-bis(4-dibenzofuran-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)aniline
CID 164835607
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
2-methyldibenzothiophene;3-methyldibenzothiophene;4-methyldibenzothiophene;2-(4-methylphenyl)dibenzofuran;4-(4-methylphenyl)dibenzofuran;2-(4-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene
CID 158418392
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159820333
2-dibenzofuran-3-yl-4-(4-dibenzothiophen-1-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-2-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-3-ylphenyl)-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-3-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylphenyl)-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 159819778
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118428274
1-methyldibenzofuran;1-methyldibenzothiophene;2-methyldibenzothiophene;bis(3-methyldibenzothiophene);bis(4-methyldibenzothiophene);toluene
CID 159683586

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2ccc3sc4ccccc4c3c2)cc1.Cc1ccc(-c2cccc3c2sc2ccccc23)cc1.Cc1cccc(-c2ccc3sc4ccccc4c3c2)c1.Cc1cccc(-c2cccc3oc4ccccc4c23)c1.Cc1cccc(-c2cccc3oc4ccccc4c23)c1.Cc1ccccc1-c1ccc2sc3ccccc3c2c1.Cc1ccccc1-c1cccc2oc3ccccc3c12.
What is the InChIKey of 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?
The InChIKey is LTNCZTYXSQSDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H14O.4C19H14S/c2*1-13-6-4-7-14(12-13)15-9-5-11-18-19(15)16-8-2-3-10-17(16)20-18;1-13-7-2-3-8-14(13)15-10-6-12-18-19(15)16-9-4-5-11-17(16)20-18;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/h7*2-12H,1H3.
What are the key properties of 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?
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 has a molecular weight of 1872.51 g/mol, XLogP of 40.80, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159452197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).