6-chloro-1-(9,9-dimethylfluoren-4-yl)-1,9b-dihydrodibenzothiophene

C27H21ClS — CID 154959749

IUPAC6-chloro-1-(9,9-dimethylfluoren-4-yl)-1,9b-dihydrodibenzothiophene
SMILESCC1(C)c2ccccc2-c2c(C3C=CC=C4Sc5c(Cl)cccc5C43)cccc21
InChIInChI=1S/C27H21ClS/c1-27(2)20-12-4-3-8-18(20)24-16(9-5-13-21(24)27)17-10-7-15-23-25(17)19-11-6-14-22(28)26(19)29-23/h3-15,17,25H,1-2H3
InChIKeyCNQFGIKDWHJTRX-UHFFFAOYSA-N
MW412.99 g/mol
LogP8.07
Rot. Bonds1

About 6-chloro-1-(9,9-dimethylfluoren-4-yl)-1,9b-dihydrodibenzothiophene

6-chloro-1-(9,9-dimethylfluoren-4-yl)-1,9b-dihydrodibenzothiophene (PubChem CID 154959749) has the molecular formula C27H21ClS and a molecular weight of 412.99 g/mol. Its IUPAC name is 6-chloro-1-(9,9-dimethylfluoren-4-yl)-1,9b-dihydrodibenzothiophene.

Molecular Properties

Compound Name6-chloro-1-(9,9-dimethylfluoren-4-yl)-1,9b-dihydrodibenzothiophene
PubChem CID154959749
Molecular FormulaC27H21ClS
Molecular Weight412.99 g/mol
Exact Mass412.11
IUPAC Name6-chloro-1-(9,9-dimethylfluoren-4-yl)-1,9b-dihydrodibenzothiophene
SMILESCC1(C)c2ccccc2-c2c(C3C=CC=C4Sc5c(Cl)cccc5C43)cccc21
InChIInChI=1S/C27H21ClS/c1-27(2)20-12-4-3-8-18(20)24-16(9-5-13-21(24)27)17-10-7-15-23-25(17)19-11-6-14-22(28)26(19)29-23/h3-15,17,25H,1-2H3
InChIKeyCNQFGIKDWHJTRX-UHFFFAOYSA-N
XLogP8.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.99
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-N-(4-naphthalen-1-ylphenyl)-9,9a-dihydrodibenzothiophen-4-amine
CID 170141585
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-(8-phenyl-1,8a-dihydronaphthalen-1-yl)aniline
CID 170302328
4-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58986993
10-fluoren-9-ylidene-9,9-dimethylanthracene
CID 10832973
ethane;4,9,9-trimethylfluorene
CID 123917181
9,9-dimethylfluorene-4-carbaldehyde
CID 123972608
9,9-dimethyl-4-phenylfluorene;ethane
CID 144938731
carbanide;bis(9,9-dimethylfluoren-4-ol);titanium(2+)
CID 59317562
7,9-dichloro-5,5,15,15-tetramethylhexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2,4(12),6(11),7,9,13,16,18,20(24),21-undecaene
CID 138461897
7-methyl-7-phenyl-4a,12a-dihydrofluoreno[4,3-b][1]benzothiole
CID 145232468
N-[4-(9,9-dimethyl-4,4a-dihydrofluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 163289523

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(9,9-dimethylfluoren-4-yl)-1,9b-dihydrodibenzothiophene?
The IUPAC name of 6-chloro-1-(9,9-dimethylfluoren-4-yl)-1,9b-dihydrodibenzothiophene (CID 154959749) is 6-chloro-1-(9,9-dimethylfluoren-4-yl)-1,9b-dihydrodibenzothiophene.
What is the SMILES notation for 6-chloro-1-(9,9-dimethylfluoren-4-yl)-1,9b-dihydrodibenzothiophene?
The canonical SMILES for 6-chloro-1-(9,9-dimethylfluoren-4-yl)-1,9b-dihydrodibenzothiophene is CC1(C)c2ccccc2-c2c(C3C=CC=C4Sc5c(Cl)cccc5C43)cccc21.
What is the InChIKey of 6-chloro-1-(9,9-dimethylfluoren-4-yl)-1,9b-dihydrodibenzothiophene?
The InChIKey is CNQFGIKDWHJTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClS/c1-27(2)20-12-4-3-8-18(20)24-16(9-5-13-21(24)27)17-10-7-15-23-25(17)19-11-6-14-22(28)26(19)29-23/h3-15,17,25H,1-2H3.
What are the key properties of 6-chloro-1-(9,9-dimethylfluoren-4-yl)-1,9b-dihydrodibenzothiophene?
6-chloro-1-(9,9-dimethylfluoren-4-yl)-1,9b-dihydrodibenzothiophene has a molecular weight of 412.99 g/mol, XLogP of 8.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(9,9-dimethylfluoren-4-yl)-1,9b-dihydrodibenzothiophene is sourced from PubChem (CID 154959749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).