[2-(dibenzothiophene-2-carbonyl)phenyl]-(4-methylphenyl)methanone

C27H18O2S — CID 71619385

IUPAC[2-(dibenzothiophene-2-carbonyl)phenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccccc2C(=O)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C27H18O2S/c1-17-10-12-18(13-11-17)26(28)21-7-2-3-8-22(21)27(29)19-14-15-25-23(16-19)20-6-4-5-9-24(20)30-25/h2-16H,1H3
InChIKeyMBKGNPJOMIUYNE-UHFFFAOYSA-N
MW406.51 g/mol
LogP6.82
Rot. Bonds4

About [2-(dibenzothiophene-2-carbonyl)phenyl]-(4-methylphenyl)methanone

[2-(dibenzothiophene-2-carbonyl)phenyl]-(4-methylphenyl)methanone (PubChem CID 71619385) has the molecular formula C27H18O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is [2-(dibenzothiophene-2-carbonyl)phenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(dibenzothiophene-2-carbonyl)phenyl]-(4-methylphenyl)methanone
PubChem CID71619385
Molecular FormulaC27H18O2S
Molecular Weight406.51 g/mol
Exact Mass406.10
IUPAC Name[2-(dibenzothiophene-2-carbonyl)phenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccccc2C(=O)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C27H18O2S/c1-17-10-12-18(13-11-17)26(28)21-7-2-3-8-22(21)27(29)19-14-15-25-23(16-19)20-6-4-5-9-24(20)30-25/h2-16H,1H3
InChIKeyMBKGNPJOMIUYNE-UHFFFAOYSA-N
XLogP6.82
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.51
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dibenzothiophen-2-yl-[2-(trioxidanylsulfanyl)phenyl]methanone
CID 58978710
1-dibenzothiophen-2-yl-2-(dimethylamino)ethanone
CID 170895942
(2-methylphenyl)-(4-methylphenyl)methanone
CID 6613295
dibenzothiophen-2-yl-[4-(9,9-dimethylacridin-10-yl)phenyl]methanone
CID 147737150
[8-(dibenzothiophene-4-carbonyl)dibenzothiophen-2-yl]-(8,9-dihydrodibenzothiophen-4-yl)methanone
CID 91599500
(1-methyldibenzothiophen-2-yl)-[4-(N-phenylanilino)phenyl]methanone
CID 123993142
4-benzoyl-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586588
2-benzoyl-5-(4-methylbenzoyl)terephthalic acid
CID 23586512
dibenzothiophene-2,8-dicarboxylic acid
CID 4739374
3-(dibenzothiophene-2-carbonyl)oxirane-2-carboxylic acid
CID 15717722
ethyl 2-dibenzothiophen-2-yl-4-methylpent-2-enoate
CID 163662457
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781

Frequently Asked Questions

What is the IUPAC name of [2-(dibenzothiophene-2-carbonyl)phenyl]-(4-methylphenyl)methanone?
The IUPAC name of [2-(dibenzothiophene-2-carbonyl)phenyl]-(4-methylphenyl)methanone (CID 71619385) is [2-(dibenzothiophene-2-carbonyl)phenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [2-(dibenzothiophene-2-carbonyl)phenyl]-(4-methylphenyl)methanone?
The canonical SMILES for [2-(dibenzothiophene-2-carbonyl)phenyl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccccc2C(=O)c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of [2-(dibenzothiophene-2-carbonyl)phenyl]-(4-methylphenyl)methanone?
The InChIKey is MBKGNPJOMIUYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18O2S/c1-17-10-12-18(13-11-17)26(28)21-7-2-3-8-22(21)27(29)19-14-15-25-23(16-19)20-6-4-5-9-24(20)30-25/h2-16H,1H3.
What are the key properties of [2-(dibenzothiophene-2-carbonyl)phenyl]-(4-methylphenyl)methanone?
[2-(dibenzothiophene-2-carbonyl)phenyl]-(4-methylphenyl)methanone has a molecular weight of 406.51 g/mol, XLogP of 6.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dibenzothiophene-2-carbonyl)phenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 71619385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).