4-(5,9,9-trimethylfluoren-2-yl)dibenzothiophene

C28H22S — CID 146397266

IUPAC4-(5,9,9-trimethylfluoren-2-yl)dibenzothiophene
SMILESCc1cccc2c1-c1ccc(-c3cccc4c3sc3ccccc34)cc1C2(C)C
InChIInChI=1S/C28H22S/c1-17-8-6-12-23-26(17)22-15-14-18(16-24(22)28(23,2)3)19-10-7-11-21-20-9-4-5-13-25(20)29-27(19)21/h4-16H,1-3H3
InChIKeyISHIQDGGGFLKPB-UHFFFAOYSA-N
MW390.55 g/mol
LogP8.34
Rot. Bonds1

About 4-(5,9,9-trimethylfluoren-2-yl)dibenzothiophene

4-(5,9,9-trimethylfluoren-2-yl)dibenzothiophene (PubChem CID 146397266) has the molecular formula C28H22S and a molecular weight of 390.55 g/mol. Its IUPAC name is 4-(5,9,9-trimethylfluoren-2-yl)dibenzothiophene.

Molecular Properties

Compound Name4-(5,9,9-trimethylfluoren-2-yl)dibenzothiophene
PubChem CID146397266
Molecular FormulaC28H22S
Molecular Weight390.55 g/mol
Exact Mass390.14
IUPAC Name4-(5,9,9-trimethylfluoren-2-yl)dibenzothiophene
SMILESCc1cccc2c1-c1ccc(-c3cccc4c3sc3ccccc34)cc1C2(C)C
InChIInChI=1S/C28H22S/c1-17-8-6-12-23-26(17)22-15-14-18(16-24(22)28(23,2)3)19-10-7-11-21-20-9-4-5-13-25(20)29-27(19)21/h4-16H,1-3H3
InChIKeyISHIQDGGGFLKPB-UHFFFAOYSA-N
XLogP8.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.55
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 59758491
7-dibenzothiophen-4-yl-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 58113350
4-(5-methylspiro[benzo[g]fluorene-7,9'-fluorene]-9-yl)dibenzothiophene
CID 90128977
4-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]dibenzothiophene
CID 121287741
4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-(9,9-dimethyl-5-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171585532
4-[3-dibenzothiophen-4-yl-5-(4-phenylphenyl)phenyl]-6-(9,9-dimethyl-5-phenylfluoren-2-yl)-2-phenylpyrimidine
CID 171583842
4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophene
CID 102194736
4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-[2-(9,9-dimethyl-5-phenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585779
3-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-N,N-diphenylaniline
CID 118135154
2-N,7-N-bis(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine;7-dibenzothiophen-4-yl-N-[4-[4-(N-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-(4-dibenzothiophen-4-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline;4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 159051141
4-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]dibenzothiophene
CID 59196128
4-(3-methyl-4-phenylphenyl)dibenzothiophene
CID 146397381

Frequently Asked Questions

What is the IUPAC name of 4-(5,9,9-trimethylfluoren-2-yl)dibenzothiophene?
The IUPAC name of 4-(5,9,9-trimethylfluoren-2-yl)dibenzothiophene (CID 146397266) is 4-(5,9,9-trimethylfluoren-2-yl)dibenzothiophene.
What is the SMILES notation for 4-(5,9,9-trimethylfluoren-2-yl)dibenzothiophene?
The canonical SMILES for 4-(5,9,9-trimethylfluoren-2-yl)dibenzothiophene is Cc1cccc2c1-c1ccc(-c3cccc4c3sc3ccccc34)cc1C2(C)C.
What is the InChIKey of 4-(5,9,9-trimethylfluoren-2-yl)dibenzothiophene?
The InChIKey is ISHIQDGGGFLKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22S/c1-17-8-6-12-23-26(17)22-15-14-18(16-24(22)28(23,2)3)19-10-7-11-21-20-9-4-5-13-25(20)29-27(19)21/h4-16H,1-3H3.
What are the key properties of 4-(5,9,9-trimethylfluoren-2-yl)dibenzothiophene?
4-(5,9,9-trimethylfluoren-2-yl)dibenzothiophene has a molecular weight of 390.55 g/mol, XLogP of 8.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,9,9-trimethylfluoren-2-yl)dibenzothiophene is sourced from PubChem (CID 146397266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).