4-(4-methylphenyl)dibenzothiophene;methylphosphane

C20H19PS — CID 142353145

IUPAC4-(4-methylphenyl)dibenzothiophene;methylphosphane
SMILESCP.Cc1ccc(-c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C19H14S.CH5P/c1-13-9-11-14(12-10-13)15-6-4-7-17-16-5-2-3-8-18(16)20-19(15)17;1-2/h2-12H,1H3;2H2,1H3
InChIKeyOYUVJFGQGAOYHB-UHFFFAOYSA-N
MW322.41 g/mol
LogP6.52
Rot. Bonds1

About 4-(4-methylphenyl)dibenzothiophene;methylphosphane

4-(4-methylphenyl)dibenzothiophene;methylphosphane (PubChem CID 142353145) has the molecular formula C20H19PS and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-(4-methylphenyl)dibenzothiophene;methylphosphane.

Molecular Properties

Compound Name4-(4-methylphenyl)dibenzothiophene;methylphosphane
PubChem CID142353145
Molecular FormulaC20H19PS
Molecular Weight322.41 g/mol
Exact Mass322.09
IUPAC Name4-(4-methylphenyl)dibenzothiophene;methylphosphane
SMILESCP.Cc1ccc(-c2cccc3c2sc2ccccc23)cc1
InChIInChI=1S/C19H14S.CH5P/c1-13-9-11-14(12-10-13)15-6-4-7-17-16-5-2-3-8-18(16)20-19(15)17;1-2/h2-12H,1H3;2H2,1H3
InChIKeyOYUVJFGQGAOYHB-UHFFFAOYSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-(4-dibenzothiophen-4-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 59022100
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
4-(4-prop-1-en-2-ylphenyl)dibenzothiophene
CID 142405934
4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane
CID 144600989
4-(4-methoxyphenyl)dibenzothiophene
CID 138456987
4-(3-methyl-4-phenylphenyl)dibenzothiophene
CID 146397381
4-dibenzothiophen-4-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline
CID 59022060
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
2-(4-dibenzothiophen-4-ylphenyl)-7-(4-methylphenyl)-1,3-benzoxazole
CID 67888447
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-(3-methyl-5-phenylphenyl)dibenzothiophene
CID 129266975

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)dibenzothiophene;methylphosphane?
The IUPAC name of 4-(4-methylphenyl)dibenzothiophene;methylphosphane (CID 142353145) is 4-(4-methylphenyl)dibenzothiophene;methylphosphane.
What is the SMILES notation for 4-(4-methylphenyl)dibenzothiophene;methylphosphane?
The canonical SMILES for 4-(4-methylphenyl)dibenzothiophene;methylphosphane is CP.Cc1ccc(-c2cccc3c2sc2ccccc23)cc1.
What is the InChIKey of 4-(4-methylphenyl)dibenzothiophene;methylphosphane?
The InChIKey is OYUVJFGQGAOYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14S.CH5P/c1-13-9-11-14(12-10-13)15-6-4-7-17-16-5-2-3-8-18(16)20-19(15)17;1-2/h2-12H,1H3;2H2,1H3.
What are the key properties of 4-(4-methylphenyl)dibenzothiophene;methylphosphane?
4-(4-methylphenyl)dibenzothiophene;methylphosphane has a molecular weight of 322.41 g/mol, XLogP of 6.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)dibenzothiophene;methylphosphane is sourced from PubChem (CID 142353145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).