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

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).