4-methyl-6-phenyl-2,3-dihydrodibenzothiophene

C19H16S — CID 149377326

IUPAC4-methyl-6-phenyl-2,3-dihydrodibenzothiophene
SMILESCC1=c2sc3c(-c4ccccc4)cccc3c2=CCC1
InChIInChI=1S/C19H16S/c1-13-7-5-11-16-17-12-6-10-15(19(17)20-18(13)16)14-8-3-2-4-9-14/h2-4,6,8-12H,5,7H2,1H3
InChIKeyYKZCMWAVVRZCCA-UHFFFAOYSA-N
MW276.40 g/mol
LogP4.31
Rot. Bonds1

About 4-methyl-6-phenyl-2,3-dihydrodibenzothiophene

4-methyl-6-phenyl-2,3-dihydrodibenzothiophene (PubChem CID 149377326) has the molecular formula C19H16S and a molecular weight of 276.40 g/mol. Its IUPAC name is 4-methyl-6-phenyl-2,3-dihydrodibenzothiophene.

Molecular Properties

Compound Name4-methyl-6-phenyl-2,3-dihydrodibenzothiophene
PubChem CID149377326
Molecular FormulaC19H16S
Molecular Weight276.40 g/mol
Exact Mass276.10
IUPAC Name4-methyl-6-phenyl-2,3-dihydrodibenzothiophene
SMILESCC1=c2sc3c(-c4ccccc4)cccc3c2=CCC1
InChIInChI=1S/C19H16S/c1-13-7-5-11-16-17-12-6-10-15(19(17)20-18(13)16)14-8-3-2-4-9-14/h2-4,6,8-12H,5,7H2,1H3
InChIKeyYKZCMWAVVRZCCA-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-(4-phenylphenyl)phenyl]-6-triphenylen-2-yldibenzothiophene
CID 118349952
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-6-triphenylen-2-yldibenzothiophene
CID 134507763
4-(3-methyl-4-phenylphenyl)dibenzothiophene
CID 146397381
2-[4-(2,3-dihydrodibenzothiophen-4-yl)dibenzothiophen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 142615088
4-(4-methylphenyl)dibenzothiophene;methylphosphane
CID 142353145
4-phenylthioxanthene-9-thione
CID 175479915
6-phenyldibenzothiophen-1-amine
CID 154950359
N-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-[4-(2,3-dihydronaphthalen-2-yl)cyclohexa-2,4-dien-1-yl]-6-phenyl-2,3-dihydrodibenzothiophen-4-amine
CID 167397095
3-(6-phenyldibenzothiophen-4-yl)-9-triphenylen-2-ylcarbazole
CID 87156299
4-(3-methyl-5-phenylphenyl)dibenzothiophene
CID 129266975
6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349922

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-phenyl-2,3-dihydrodibenzothiophene?
The IUPAC name of 4-methyl-6-phenyl-2,3-dihydrodibenzothiophene (CID 149377326) is 4-methyl-6-phenyl-2,3-dihydrodibenzothiophene.
What is the SMILES notation for 4-methyl-6-phenyl-2,3-dihydrodibenzothiophene?
The canonical SMILES for 4-methyl-6-phenyl-2,3-dihydrodibenzothiophene is CC1=c2sc3c(-c4ccccc4)cccc3c2=CCC1.
What is the InChIKey of 4-methyl-6-phenyl-2,3-dihydrodibenzothiophene?
The InChIKey is YKZCMWAVVRZCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16S/c1-13-7-5-11-16-17-12-6-10-15(19(17)20-18(13)16)14-8-3-2-4-9-14/h2-4,6,8-12H,5,7H2,1H3.
What are the key properties of 4-methyl-6-phenyl-2,3-dihydrodibenzothiophene?
4-methyl-6-phenyl-2,3-dihydrodibenzothiophene has a molecular weight of 276.40 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-phenyl-2,3-dihydrodibenzothiophene is sourced from PubChem (CID 149377326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).