2-bromo-9,9-dihexylfluorene

C25H33Br — CID 18674600

IUPAC2-bromo-9,9-dihexylfluorene
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C25H33Br/c1-3-5-7-11-17-25(18-12-8-6-4-2)23-14-10-9-13-21(23)22-16-15-20(26)19-24(22)25/h9-10,13-16,19H,3-8,11-12,17-18H2,1-2H3
InChIKeyNNYSRQDAPSNOKV-UHFFFAOYSA-N
MW413.44 g/mol
LogP8.66
Rot. Bonds10

About 2-bromo-9,9-dihexylfluorene

2-bromo-9,9-dihexylfluorene (PubChem CID 18674600) has the molecular formula C25H33Br and a molecular weight of 413.44 g/mol. Its IUPAC name is 2-bromo-9,9-dihexylfluorene.

Molecular Properties

Compound Name2-bromo-9,9-dihexylfluorene
PubChem CID18674600
Molecular FormulaC25H33Br
Molecular Weight413.44 g/mol
Exact Mass412.18
IUPAC Name2-bromo-9,9-dihexylfluorene
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C25H33Br/c1-3-5-7-11-17-25(18-12-8-6-4-2)23-14-10-9-13-21(23)22-16-15-20(26)19-24(22)25/h9-10,13-16,19H,3-8,11-12,17-18H2,1-2H3
InChIKeyNNYSRQDAPSNOKV-UHFFFAOYSA-N
XLogP8.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.44
LogP ≤ 58.66
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

2,7-dibromo-9-heptyl-9-hexylfluorene
CID 170123395
3-bromo-9,9-dioctylfluorene
CID 139567905
2-bromo-7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 59512866
2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene
CID 58676153
2-bromo-7-[7-[7-(7-bromo-9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluorene
CID 101349913
9,9-didecylfluorene
CID 5135289
9,9-di(docosyl)fluorene
CID 22568526
3-(2,7-dibromo-9-hexylfluoren-9-yl)propan-1-amine
CID 146448745
2-bromo-9-hexyl-9-methylfluorene
CID 141395535
2-bromo-9,9-dihexyl-7-iodofluorene
CID 18448199
CID 59561089
CID 59561089
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9,9-dihexylfluorene?
The IUPAC name of 2-bromo-9,9-dihexylfluorene (CID 18674600) is 2-bromo-9,9-dihexylfluorene.
What is the SMILES notation for 2-bromo-9,9-dihexylfluorene?
The canonical SMILES for 2-bromo-9,9-dihexylfluorene is CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(Br)cc21.
What is the InChIKey of 2-bromo-9,9-dihexylfluorene?
The InChIKey is NNYSRQDAPSNOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33Br/c1-3-5-7-11-17-25(18-12-8-6-4-2)23-14-10-9-13-21(23)22-16-15-20(26)19-24(22)25/h9-10,13-16,19H,3-8,11-12,17-18H2,1-2H3.
What are the key properties of 2-bromo-9,9-dihexylfluorene?
2-bromo-9,9-dihexylfluorene has a molecular weight of 413.44 g/mol, XLogP of 8.66, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9,9-dihexylfluorene is sourced from PubChem (CID 18674600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).