2,7,9,9-tetrabromo-1-pentylfluorene

C18H16Br4 — CID 171476722

IUPAC2,7,9,9-tetrabromo-1-pentylfluorene
SMILESCCCCCc1c(Br)ccc2c1C(Br)(Br)c1cc(Br)ccc1-2
InChIInChI=1S/C18H16Br4/c1-2-3-4-5-14-16(20)9-8-13-12-7-6-11(19)10-15(12)18(21,22)17(13)14/h6-10H,2-5H2,1H3
InChIKeyICRSTFCACGNPTM-UHFFFAOYSA-N
MW551.94 g/mol
LogP7.92
Rot. Bonds4

About 2,7,9,9-tetrabromo-1-pentylfluorene

2,7,9,9-tetrabromo-1-pentylfluorene (PubChem CID 171476722) has the molecular formula C18H16Br4 and a molecular weight of 551.94 g/mol. Its IUPAC name is 2,7,9,9-tetrabromo-1-pentylfluorene.

Molecular Properties

Compound Name2,7,9,9-tetrabromo-1-pentylfluorene
PubChem CID171476722
Molecular FormulaC18H16Br4
Molecular Weight551.94 g/mol
Exact Mass547.80
IUPAC Name2,7,9,9-tetrabromo-1-pentylfluorene
SMILESCCCCCc1c(Br)ccc2c1C(Br)(Br)c1cc(Br)ccc1-2
InChIInChI=1S/C18H16Br4/c1-2-3-4-5-14-16(20)9-8-13-12-7-6-11(19)10-15(12)18(21,22)17(13)14/h6-10H,2-5H2,1H3
InChIKeyICRSTFCACGNPTM-UHFFFAOYSA-N
XLogP7.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.94
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-7-hexyl-9,9-dimethylfluorene
CID 130398311
2,7-dibromo-9-heptyl-9-hexylfluorene
CID 170123395
2-bromo-9-(3-hexyl-5-methylphenyl)-7,9-dimethylfluorene
CID 129263040
2,7-dibromo-1,9-dihexyl-9H-fluorene
CID 123599917
2,7-dibromo-9,10-dioctylphenanthrene-9,10-diol
CID 59479587
2,7-dibromo-9-iodo-9-octylfluorene
CID 138531843
2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol
CID 58556168
2,7-dibromo-9-(3-hexyl-5-methylphenyl)fluoren-9-ol
CID 134368344
CID 59561089
CID 59561089
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
3-(2,7-dibromo-9-hexylfluoren-9-yl)propan-1-amine
CID 146448745

Frequently Asked Questions

What is the IUPAC name of 2,7,9,9-tetrabromo-1-pentylfluorene?
The IUPAC name of 2,7,9,9-tetrabromo-1-pentylfluorene (CID 171476722) is 2,7,9,9-tetrabromo-1-pentylfluorene.
What is the SMILES notation for 2,7,9,9-tetrabromo-1-pentylfluorene?
The canonical SMILES for 2,7,9,9-tetrabromo-1-pentylfluorene is CCCCCc1c(Br)ccc2c1C(Br)(Br)c1cc(Br)ccc1-2.
What is the InChIKey of 2,7,9,9-tetrabromo-1-pentylfluorene?
The InChIKey is ICRSTFCACGNPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Br4/c1-2-3-4-5-14-16(20)9-8-13-12-7-6-11(19)10-15(12)18(21,22)17(13)14/h6-10H,2-5H2,1H3.
What are the key properties of 2,7,9,9-tetrabromo-1-pentylfluorene?
2,7,9,9-tetrabromo-1-pentylfluorene has a molecular weight of 551.94 g/mol, XLogP of 7.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,9,9-tetrabromo-1-pentylfluorene is sourced from PubChem (CID 171476722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).