9,9-didecylfluorene

C33H50 — CID 5135289

IUPAC9,9-didecylfluorene
SMILESCCCCCCCCCCC1(CCCCCCCCCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C33H50/c1-3-5-7-9-11-13-15-21-27-33(28-22-16-14-12-10-8-6-4-2)31-25-19-17-23-29(31)30-24-18-20-26-32(30)33/h17-20,23-26H,3-16,21-22,27-28H2,1-2H3
InChIKeyGNBBEOGRQXANFQ-UHFFFAOYSA-N
MW446.76 g/mol
LogP11.01
Rot. Bonds18

About 9,9-didecylfluorene

9,9-didecylfluorene (PubChem CID 5135289) has the molecular formula C33H50 and a molecular weight of 446.76 g/mol. Its IUPAC name is 9,9-didecylfluorene.

Molecular Properties

Compound Name9,9-didecylfluorene
PubChem CID5135289
Molecular FormulaC33H50
Molecular Weight446.76 g/mol
Exact Mass446.39
IUPAC Name9,9-didecylfluorene
SMILESCCCCCCCCCCC1(CCCCCCCCCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C33H50/c1-3-5-7-9-11-13-15-21-27-33(28-22-16-14-12-10-8-6-4-2)31-25-19-17-23-29(31)30-24-18-20-26-32(30)33/h17-20,23-26H,3-16,21-22,27-28H2,1-2H3
InChIKeyGNBBEOGRQXANFQ-UHFFFAOYSA-N
XLogP11.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.76
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9,9-di(docosyl)fluorene
CID 22568526
9,9-bis(10-nonylsulfanyldecyl)fluorene
CID 102382728
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-didecylfluorene?
The IUPAC name of 9,9-didecylfluorene (CID 5135289) is 9,9-didecylfluorene.
What is the SMILES notation for 9,9-didecylfluorene?
The canonical SMILES for 9,9-didecylfluorene is CCCCCCCCCCC1(CCCCCCCCCC)c2ccccc2-c2ccccc21.
What is the InChIKey of 9,9-didecylfluorene?
The InChIKey is GNBBEOGRQXANFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H50/c1-3-5-7-9-11-13-15-21-27-33(28-22-16-14-12-10-8-6-4-2)31-25-19-17-23-29(31)30-24-18-20-26-32(30)33/h17-20,23-26H,3-16,21-22,27-28H2,1-2H3.
What are the key properties of 9,9-didecylfluorene?
9,9-didecylfluorene has a molecular weight of 446.76 g/mol, XLogP of 11.01, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-didecylfluorene is sourced from PubChem (CID 5135289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).