2-ethenyl-9,9-dihexylfluorene

C27H36 — CID 86189845

IUPAC2-ethenyl-9,9-dihexylfluorene
SMILESC=Cc1ccc2c(c1)C(CCCCCC)(CCCCCC)c1ccccc1-2
InChIInChI=1S/C27H36/c1-4-7-9-13-19-27(20-14-10-8-5-2)25-16-12-11-15-23(25)24-18-17-22(6-3)21-26(24)27/h6,11-12,15-18,21H,3-5,7-10,13-14,19-20H2,1-2H3
InChIKeyWZCLQYMKLPGXOS-UHFFFAOYSA-N
MW360.59 g/mol
LogP8.54
Rot. Bonds11

About 2-ethenyl-9,9-dihexylfluorene

2-ethenyl-9,9-dihexylfluorene (PubChem CID 86189845) has the molecular formula C27H36 and a molecular weight of 360.59 g/mol. Its IUPAC name is 2-ethenyl-9,9-dihexylfluorene.

Molecular Properties

Compound Name2-ethenyl-9,9-dihexylfluorene
PubChem CID86189845
Molecular FormulaC27H36
Molecular Weight360.59 g/mol
Exact Mass360.28
IUPAC Name2-ethenyl-9,9-dihexylfluorene
SMILESC=Cc1ccc2c(c1)C(CCCCCC)(CCCCCC)c1ccccc1-2
InChIInChI=1S/C27H36/c1-4-7-9-13-19-27(20-14-10-8-5-2)25-16-12-11-15-23(25)24-18-17-22(6-3)21-26(24)27/h6,11-12,15-18,21H,3-5,7-10,13-14,19-20H2,1-2H3
InChIKeyWZCLQYMKLPGXOS-UHFFFAOYSA-N
XLogP8.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.59
LogP ≤ 58.54
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-didecylfluorene
CID 5135289
9,9-di(docosyl)fluorene
CID 22568526
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308
2-bromo-9,9-dihexylfluorene
CID 18674600
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
9,9-dihexyl-N,N-bis[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]fluoren-2-amine
CID 59470044
1-(9,9-dihexylfluoren-2-yl)-N-(9H-fluoren-2-yl)methanimine
CID 71663652
2-ethynyl-9,9-dioctylfluorene
CID 18442166
6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine
CID 101479425
9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene
CID 142821206
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
butyl-(9,9-dioctylfluoren-2-yl)stannane
CID 154467758

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-9,9-dihexylfluorene?
The IUPAC name of 2-ethenyl-9,9-dihexylfluorene (CID 86189845) is 2-ethenyl-9,9-dihexylfluorene.
What is the SMILES notation for 2-ethenyl-9,9-dihexylfluorene?
The canonical SMILES for 2-ethenyl-9,9-dihexylfluorene is C=Cc1ccc2c(c1)C(CCCCCC)(CCCCCC)c1ccccc1-2.
What is the InChIKey of 2-ethenyl-9,9-dihexylfluorene?
The InChIKey is WZCLQYMKLPGXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36/c1-4-7-9-13-19-27(20-14-10-8-5-2)25-16-12-11-15-23(25)24-18-17-22(6-3)21-26(24)27/h6,11-12,15-18,21H,3-5,7-10,13-14,19-20H2,1-2H3.
What are the key properties of 2-ethenyl-9,9-dihexylfluorene?
2-ethenyl-9,9-dihexylfluorene has a molecular weight of 360.59 g/mol, XLogP of 8.54, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-9,9-dihexylfluorene is sourced from PubChem (CID 86189845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).