1-(8-chloro-9,9-dimethylfluoren-3-yl)dibenzothiophene

C27H19ClS — CID 164736739

IUPAC1-(8-chloro-9,9-dimethylfluoren-3-yl)dibenzothiophene
SMILESCC1(C)c2ccc(-c3cccc4sc5ccccc5c34)cc2-c2cccc(Cl)c21
InChIInChI=1S/C27H19ClS/c1-27(2)21-14-13-16(15-20(21)18-9-5-10-22(28)26(18)27)17-8-6-12-24-25(17)19-7-3-4-11-23(19)29-24/h3-15H,1-2H3
InChIKeyGCGCEVFPPFJINU-UHFFFAOYSA-N
MW410.97 g/mol
LogP8.68
Rot. Bonds1

About 1-(8-chloro-9,9-dimethylfluoren-3-yl)dibenzothiophene

1-(8-chloro-9,9-dimethylfluoren-3-yl)dibenzothiophene (PubChem CID 164736739) has the molecular formula C27H19ClS and a molecular weight of 410.97 g/mol. Its IUPAC name is 1-(8-chloro-9,9-dimethylfluoren-3-yl)dibenzothiophene.

Molecular Properties

Compound Name1-(8-chloro-9,9-dimethylfluoren-3-yl)dibenzothiophene
PubChem CID164736739
Molecular FormulaC27H19ClS
Molecular Weight410.97 g/mol
Exact Mass410.09
IUPAC Name1-(8-chloro-9,9-dimethylfluoren-3-yl)dibenzothiophene
SMILESCC1(C)c2ccc(-c3cccc4sc5ccccc5c34)cc2-c2cccc(Cl)c21
InChIInChI=1S/C27H19ClS/c1-27(2)21-14-13-16(15-20(21)18-9-5-10-22(28)26(18)27)17-8-6-12-24-25(17)19-7-3-4-11-23(19)29-24/h3-15H,1-2H3
InChIKeyGCGCEVFPPFJINU-UHFFFAOYSA-N
XLogP8.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.97
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 145331799
N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839664
N-(3-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-1-amine
CID 139568348
N-(4-dibenzothiophen-1-ylphenyl)-N-[2-[2-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 168839586
15,15-dimethyl-19-[4-(5-naphthalen-1-ylbenzo[10]annulen-12-yl)phenyl]-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene
CID 130212226
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 170217420
4-dibenzothiophen-1-yl-2-[4-(11,11-dimethylbenzo[a]fluoren-8-yl)naphthalen-1-yl]-6-phenylpyrimidine
CID 168779575
12,12-dimethylfluoreno[2,1-b][1]benzothiole
CID 164804096
3-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-9,9-dimethylxanthene
CID 177298182
3-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-9-yl)-9-phenylcarbazole
CID 118099081
4-[3-(16,16-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaenyl)phenyl]dibenzothiophene;16,16-dimethyl-20-[3-[3-(3-phenylphenyl)phenyl]phenyl]hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene;16,16-dimethyl-20-(3-triphenylen-2-ylphenyl)hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene
CID 160676087
2-(4-dibenzothiophen-1-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)quinoxaline
CID 164985271

Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-9,9-dimethylfluoren-3-yl)dibenzothiophene?
The IUPAC name of 1-(8-chloro-9,9-dimethylfluoren-3-yl)dibenzothiophene (CID 164736739) is 1-(8-chloro-9,9-dimethylfluoren-3-yl)dibenzothiophene.
What is the SMILES notation for 1-(8-chloro-9,9-dimethylfluoren-3-yl)dibenzothiophene?
The canonical SMILES for 1-(8-chloro-9,9-dimethylfluoren-3-yl)dibenzothiophene is CC1(C)c2ccc(-c3cccc4sc5ccccc5c34)cc2-c2cccc(Cl)c21.
What is the InChIKey of 1-(8-chloro-9,9-dimethylfluoren-3-yl)dibenzothiophene?
The InChIKey is GCGCEVFPPFJINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClS/c1-27(2)21-14-13-16(15-20(21)18-9-5-10-22(28)26(18)27)17-8-6-12-24-25(17)19-7-3-4-11-23(19)29-24/h3-15H,1-2H3.
What are the key properties of 1-(8-chloro-9,9-dimethylfluoren-3-yl)dibenzothiophene?
1-(8-chloro-9,9-dimethylfluoren-3-yl)dibenzothiophene has a molecular weight of 410.97 g/mol, XLogP of 8.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloro-9,9-dimethylfluoren-3-yl)dibenzothiophene is sourced from PubChem (CID 164736739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).