2,7-dibromo-9,9-didecylfluorene

C33H48Br2 — CID 3661211

IUPAC2,7-dibromo-9,9-didecylfluorene
SMILESCCCCCCCCCCC1(CCCCCCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C33H48Br2/c1-3-5-7-9-11-13-15-17-23-33(24-18-16-14-12-10-8-6-4-2)31-25-27(34)19-21-29(31)30-22-20-28(35)26-32(30)33/h19-22,25-26H,3-18,23-24H2,1-2H3
InChIKeyRLYANTSRYXOALQ-UHFFFAOYSA-N
MW604.56 g/mol
LogP12.54
Rot. Bonds18

About 2,7-dibromo-9,9-didecylfluorene

2,7-dibromo-9,9-didecylfluorene (PubChem CID 3661211) has the molecular formula C33H48Br2 and a molecular weight of 604.56 g/mol. Its IUPAC name is 2,7-dibromo-9,9-didecylfluorene.

Molecular Properties

Compound Name2,7-dibromo-9,9-didecylfluorene
PubChem CID3661211
Molecular FormulaC33H48Br2
Molecular Weight604.56 g/mol
Exact Mass602.21
IUPAC Name2,7-dibromo-9,9-didecylfluorene
SMILESCCCCCCCCCCC1(CCCCCCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C33H48Br2/c1-3-5-7-9-11-13-15-17-23-33(24-18-16-14-12-10-8-6-4-2)31-25-27(34)19-21-29(31)30-22-20-28(35)26-32(30)33/h19-22,25-26H,3-18,23-24H2,1-2H3
InChIKeyRLYANTSRYXOALQ-UHFFFAOYSA-N
XLogP12.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.56
LogP ≤ 512.54
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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Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9,9-didecylfluorene?
The IUPAC name of 2,7-dibromo-9,9-didecylfluorene (CID 3661211) is 2,7-dibromo-9,9-didecylfluorene.
What is the SMILES notation for 2,7-dibromo-9,9-didecylfluorene?
The canonical SMILES for 2,7-dibromo-9,9-didecylfluorene is CCCCCCCCCCC1(CCCCCCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21.
What is the InChIKey of 2,7-dibromo-9,9-didecylfluorene?
The InChIKey is RLYANTSRYXOALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H48Br2/c1-3-5-7-9-11-13-15-17-23-33(24-18-16-14-12-10-8-6-4-2)31-25-27(34)19-21-29(31)30-22-20-28(35)26-32(30)33/h19-22,25-26H,3-18,23-24H2,1-2H3.
What are the key properties of 2,7-dibromo-9,9-didecylfluorene?
2,7-dibromo-9,9-didecylfluorene has a molecular weight of 604.56 g/mol, XLogP of 12.54, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9,9-didecylfluorene is sourced from PubChem (CID 3661211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).