2-(2,7-dichloro-9-hexylfluoren-9-yl)thiophene

C23H22Cl2S — CID 59711126

IUPAC2-(2,7-dichloro-9-hexylfluoren-9-yl)thiophene
SMILESCCCCCCC1(c2cccs2)c2cc(Cl)ccc2-c2ccc(Cl)cc21
InChIInChI=1S/C23H22Cl2S/c1-2-3-4-5-12-23(22-7-6-13-26-22)20-14-16(24)8-10-18(20)19-11-9-17(25)15-21(19)23/h6-11,13-15H,2-5,12H2,1H3
InChIKeyVRLWLQIMWSTTJF-UHFFFAOYSA-N
MW401.40 g/mol
LogP8.34
Rot. Bonds6

About 2-(2,7-dichloro-9-hexylfluoren-9-yl)thiophene

2-(2,7-dichloro-9-hexylfluoren-9-yl)thiophene (PubChem CID 59711126) has the molecular formula C23H22Cl2S and a molecular weight of 401.40 g/mol. Its IUPAC name is 2-(2,7-dichloro-9-hexylfluoren-9-yl)thiophene.

Molecular Properties

Compound Name2-(2,7-dichloro-9-hexylfluoren-9-yl)thiophene
PubChem CID59711126
Molecular FormulaC23H22Cl2S
Molecular Weight401.40 g/mol
Exact Mass400.08
IUPAC Name2-(2,7-dichloro-9-hexylfluoren-9-yl)thiophene
SMILESCCCCCCC1(c2cccs2)c2cc(Cl)ccc2-c2ccc(Cl)cc21
InChIInChI=1S/C23H22Cl2S/c1-2-3-4-5-12-23(22-7-6-13-26-22)20-14-16(24)8-10-18(20)19-11-9-17(25)15-21(19)23/h6-11,13-15H,2-5,12H2,1H3
InChIKeyVRLWLQIMWSTTJF-UHFFFAOYSA-N
XLogP8.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.40
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2,7-dichloro-9-hexylfluoren-9-yl)thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,7-dichloro-9-hexyl-9-phenylfluorene
CID 59711127
2-chloro-7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluorene
CID 138569718
3,3-dibutyl-5-chloro-2-ethenylindene-1-thiol
CID 145411013
9,9-di(docosyl)fluorene
CID 22568526
9,9-didecylfluorene
CID 5135289
2-(9,9-dihexyl-7-thiophen-2-ylfluoren-2-yl)-5-(4-methoxyphenyl)thiophene
CID 137380529
2-chloro-8-[4-[7-[7-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9-heptyl-9-octylfluoren-2-yl]-5,9,9-trimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-6,6,12,12-tetraoctylindeno[1,2-b]fluorene
CID 169036242
2-(9,9-dioctyl-7-thiophen-2-ylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11556185
1-butyl-3-ethyl-3-thiophen-2-ylcyclobutan-1-ol
CID 135017669
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
9,9,18,18-tetraoctyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene
CID 58435013
2,7-dibromo-9-heptyl-9-hexylfluorene
CID 170123395

Frequently Asked Questions

What is the IUPAC name of 2-(2,7-dichloro-9-hexylfluoren-9-yl)thiophene?
The IUPAC name of 2-(2,7-dichloro-9-hexylfluoren-9-yl)thiophene (CID 59711126) is 2-(2,7-dichloro-9-hexylfluoren-9-yl)thiophene.
What is the SMILES notation for 2-(2,7-dichloro-9-hexylfluoren-9-yl)thiophene?
The canonical SMILES for 2-(2,7-dichloro-9-hexylfluoren-9-yl)thiophene is CCCCCCC1(c2cccs2)c2cc(Cl)ccc2-c2ccc(Cl)cc21.
What is the InChIKey of 2-(2,7-dichloro-9-hexylfluoren-9-yl)thiophene?
The InChIKey is VRLWLQIMWSTTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2S/c1-2-3-4-5-12-23(22-7-6-13-26-22)20-14-16(24)8-10-18(20)19-11-9-17(25)15-21(19)23/h6-11,13-15H,2-5,12H2,1H3.
What are the key properties of 2-(2,7-dichloro-9-hexylfluoren-9-yl)thiophene?
2-(2,7-dichloro-9-hexylfluoren-9-yl)thiophene has a molecular weight of 401.40 g/mol, XLogP of 8.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-dichloro-9-hexylfluoren-9-yl)thiophene is sourced from PubChem (CID 59711126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).