9,9-bis(10-nonylsulfanyldecyl)fluorene

C51H86S2 — CID 102382728

IUPAC9,9-bis(10-nonylsulfanyldecyl)fluorene
SMILESCCCCCCCCCSCCCCCCCCCCC1(CCCCCCCCCCSCCCCCCCCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C51H86S2/c1-3-5-7-9-17-23-33-43-52-45-35-25-19-13-11-15-21-31-41-51(49-39-29-27-37-47(49)48-38-28-30-40-50(48)51)42-32-22-16-12-14-20-26-36-46-53-44-34-24-18-10-8-6-4-2/h27-30,37-40H,3-26,31-36,41-46H2,1-2H3
InChIKeyIRRVWOKRWLPUIC-UHFFFAOYSA-N
MW763.38 g/mol
LogP17.94
Rot. Bonds38

About 9,9-bis(10-nonylsulfanyldecyl)fluorene

9,9-bis(10-nonylsulfanyldecyl)fluorene (PubChem CID 102382728) has the molecular formula C51H86S2 and a molecular weight of 763.38 g/mol. Its IUPAC name is 9,9-bis(10-nonylsulfanyldecyl)fluorene.

Molecular Properties

Compound Name9,9-bis(10-nonylsulfanyldecyl)fluorene
PubChem CID102382728
Molecular FormulaC51H86S2
Molecular Weight763.38 g/mol
Exact Mass762.62
IUPAC Name9,9-bis(10-nonylsulfanyldecyl)fluorene
SMILESCCCCCCCCCSCCCCCCCCCCC1(CCCCCCCCCCSCCCCCCCCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C51H86S2/c1-3-5-7-9-17-23-33-43-52-45-35-25-19-13-11-15-21-31-41-51(49-39-29-27-37-47(49)48-38-28-30-40-50(48)51)42-32-22-16-12-14-20-26-36-46-53-44-34-24-18-10-8-6-4-2/h27-30,37-40H,3-26,31-36,41-46H2,1-2H3
InChIKeyIRRVWOKRWLPUIC-UHFFFAOYSA-N
XLogP17.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds38
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.38
LogP ≤ 517.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9,9-bis(10-nonylsulfanyldecyl)fluorene 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

9,9-didecylfluorene
CID 5135289
9,9-di(docosyl)fluorene
CID 22568526
9,9-dioctylfluorene;ethane;fluoren-9-one;methane
CID 158051918
CID 162235627
CID 162235627
9,9-dioctylfluorene;2-methylpyrimidine
CID 174872093
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308
2-bromo-9,9-dihexylfluorene
CID 18674600
3-bromo-9,9-dioctylfluorene
CID 139567905
7,7,24,24-tetraoctylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8,10,12,15,19,21,23(31),25,27,29,32-pentadecaene
CID 101489887
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
2-ethenyl-9,9-dihexylfluorene
CID 86189845
4,4-dihexylindeno[1,2-b]thiophene
CID 58202963

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(10-nonylsulfanyldecyl)fluorene?
The IUPAC name of 9,9-bis(10-nonylsulfanyldecyl)fluorene (CID 102382728) is 9,9-bis(10-nonylsulfanyldecyl)fluorene.
What is the SMILES notation for 9,9-bis(10-nonylsulfanyldecyl)fluorene?
The canonical SMILES for 9,9-bis(10-nonylsulfanyldecyl)fluorene is CCCCCCCCCSCCCCCCCCCCC1(CCCCCCCCCCSCCCCCCCCC)c2ccccc2-c2ccccc21.
What is the InChIKey of 9,9-bis(10-nonylsulfanyldecyl)fluorene?
The InChIKey is IRRVWOKRWLPUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H86S2/c1-3-5-7-9-17-23-33-43-52-45-35-25-19-13-11-15-21-31-41-51(49-39-29-27-37-47(49)48-38-28-30-40-50(48)51)42-32-22-16-12-14-20-26-36-46-53-44-34-24-18-10-8-6-4-2/h27-30,37-40H,3-26,31-36,41-46H2,1-2H3.
What are the key properties of 9,9-bis(10-nonylsulfanyldecyl)fluorene?
9,9-bis(10-nonylsulfanyldecyl)fluorene has a molecular weight of 763.38 g/mol, XLogP of 17.94, 38 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(10-nonylsulfanyldecyl)fluorene is sourced from PubChem (CID 102382728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).