3-(9,9-dimethylfluoren-2-yl)dibenzothiophene

C27H20S — CID 134387503

IUPAC3-(9,9-dimethylfluoren-2-yl)dibenzothiophene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)sc3ccccc34)cc21
InChIInChI=1S/C27H20S/c1-27(2)23-9-5-3-7-19(23)20-13-11-17(15-24(20)27)18-12-14-22-21-8-4-6-10-25(21)28-26(22)16-18/h3-16H,1-2H3
InChIKeyUMQBNRQZKNWUKC-UHFFFAOYSA-N
MW376.52 g/mol
LogP8.03
Rot. Bonds1

About 3-(9,9-dimethylfluoren-2-yl)dibenzothiophene

3-(9,9-dimethylfluoren-2-yl)dibenzothiophene (PubChem CID 134387503) has the molecular formula C27H20S and a molecular weight of 376.52 g/mol. Its IUPAC name is 3-(9,9-dimethylfluoren-2-yl)dibenzothiophene.

Molecular Properties

Compound Name3-(9,9-dimethylfluoren-2-yl)dibenzothiophene
PubChem CID134387503
Molecular FormulaC27H20S
Molecular Weight376.52 g/mol
Exact Mass376.13
IUPAC Name3-(9,9-dimethylfluoren-2-yl)dibenzothiophene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)sc3ccccc34)cc21
InChIInChI=1S/C27H20S/c1-27(2)23-9-5-3-7-19(23)20-13-11-17(15-24(20)27)18-12-14-22-21-8-4-6-10-25(21)28-26(22)16-18/h3-16H,1-2H3
InChIKeyUMQBNRQZKNWUKC-UHFFFAOYSA-N
XLogP8.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.52
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-7-(9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 130250823
2-dibenzothiophen-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(7-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 176587952
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839548
4-(3-dibenzothiophen-3-yl-5-phenylphenyl)-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidine
CID 171583556
1-(9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 145331799
2-[8-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 154624618
[4-[4-dibenzothiophen-3-yl-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-trimethylsilane
CID 177088299
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzothiophen-3-amine
CID 142480678
N-(2-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170143251
4-(4-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-2-yl)-6-(9,9-diphenylfluoren-2-yl)pyrimidine
CID 171602444
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-naphthalen-2-ylaniline
CID 167323779
2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzothiophene
CID 59196182

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethylfluoren-2-yl)dibenzothiophene?
The IUPAC name of 3-(9,9-dimethylfluoren-2-yl)dibenzothiophene (CID 134387503) is 3-(9,9-dimethylfluoren-2-yl)dibenzothiophene.
What is the SMILES notation for 3-(9,9-dimethylfluoren-2-yl)dibenzothiophene?
The canonical SMILES for 3-(9,9-dimethylfluoren-2-yl)dibenzothiophene is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)sc3ccccc34)cc21.
What is the InChIKey of 3-(9,9-dimethylfluoren-2-yl)dibenzothiophene?
The InChIKey is UMQBNRQZKNWUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20S/c1-27(2)23-9-5-3-7-19(23)20-13-11-17(15-24(20)27)18-12-14-22-21-8-4-6-10-25(21)28-26(22)16-18/h3-16H,1-2H3.
What are the key properties of 3-(9,9-dimethylfluoren-2-yl)dibenzothiophene?
3-(9,9-dimethylfluoren-2-yl)dibenzothiophene has a molecular weight of 376.52 g/mol, XLogP of 8.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-dimethylfluoren-2-yl)dibenzothiophene is sourced from PubChem (CID 134387503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).