1-(9,9-dimethylfluoren-2-yl)dibenzothiophene

C27H20S — CID 145331799

IUPAC1-(9,9-dimethylfluoren-2-yl)dibenzothiophene
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc4sc5ccccc5c34)cc21
InChIInChI=1S/C27H20S/c1-27(2)22-11-5-3-8-19(22)20-15-14-17(16-23(20)27)18-10-7-13-25-26(18)21-9-4-6-12-24(21)28-25/h3-16H,1-2H3
InChIKeyWOJDDYCQZZPSIT-UHFFFAOYSA-N
MW376.52 g/mol
LogP8.03
Rot. Bonds1

About 1-(9,9-dimethylfluoren-2-yl)dibenzothiophene

1-(9,9-dimethylfluoren-2-yl)dibenzothiophene (PubChem CID 145331799) has the molecular formula C27H20S and a molecular weight of 376.52 g/mol. Its IUPAC name is 1-(9,9-dimethylfluoren-2-yl)dibenzothiophene.

Molecular Properties

Compound Name1-(9,9-dimethylfluoren-2-yl)dibenzothiophene
PubChem CID145331799
Molecular FormulaC27H20S
Molecular Weight376.52 g/mol
Exact Mass376.13
IUPAC Name1-(9,9-dimethylfluoren-2-yl)dibenzothiophene
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc4sc5ccccc5c34)cc21
InChIInChI=1S/C27H20S/c1-27(2)22-11-5-3-8-19(22)20-15-14-17(16-23(20)27)18-10-7-13-25-26(18)21-9-4-6-12-24(21)28-25/h3-16H,1-2H3
InChIKeyWOJDDYCQZZPSIT-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

2-(4-dibenzothiophen-1-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)quinoxaline
CID 164985271
4-(3-dibenzothiophen-1-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585757
3-(9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 134387503
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 170217420
2-(4-dibenzothiophen-1-ylnaphthalen-1-yl)-3-phenylquinoxaline;2-(4-dibenzothiophen-1-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)quinoxaline;2-(4-dibenzothiophen-1-ylphenyl)-3-(4-phenylphenyl)quinoxaline;2-dibenzothiophen-1-yl-3-(4-phenylphenyl)quinoxaline
CID 165060519
N-(4-dibenzothiophen-1-ylphenyl)-N-[2-[2-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 168839586
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 176583414
2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-yl]-4,6-diphenylpyrimidine
CID 142491297
N-(2-dibenzothiophen-1-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 176583255
2-[1-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 142491338
N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839664
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432

Frequently Asked Questions

What is the IUPAC name of 1-(9,9-dimethylfluoren-2-yl)dibenzothiophene?
The IUPAC name of 1-(9,9-dimethylfluoren-2-yl)dibenzothiophene (CID 145331799) is 1-(9,9-dimethylfluoren-2-yl)dibenzothiophene.
What is the SMILES notation for 1-(9,9-dimethylfluoren-2-yl)dibenzothiophene?
The canonical SMILES for 1-(9,9-dimethylfluoren-2-yl)dibenzothiophene is CC1(C)c2ccccc2-c2ccc(-c3cccc4sc5ccccc5c34)cc21.
What is the InChIKey of 1-(9,9-dimethylfluoren-2-yl)dibenzothiophene?
The InChIKey is WOJDDYCQZZPSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20S/c1-27(2)22-11-5-3-8-19(22)20-15-14-17(16-23(20)27)18-10-7-13-25-26(18)21-9-4-6-12-24(21)28-25/h3-16H,1-2H3.
What are the key properties of 1-(9,9-dimethylfluoren-2-yl)dibenzothiophene?
1-(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 1-(9,9-dimethylfluoren-2-yl)dibenzothiophene is sourced from PubChem (CID 145331799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).