1-bromo-9,9-dimethylfluorene;fluoro(diphenyl)borane

C27H23BBrF — CID 158899890

IUPAC1-bromo-9,9-dimethylfluorene;fluoro(diphenyl)borane
SMILESCC1(C)c2ccccc2-c2cccc(Br)c21.FB(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13Br.C12H10BF/c1-15(2)12-8-4-3-6-10(12)11-7-5-9-13(16)14(11)15;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h3-9H,1-2H3;1-10H
InChIKeyJFHLBSGJJOKCHH-UHFFFAOYSA-N
MW457.20 g/mol
LogP6.52
Rot. Bonds2

About 1-bromo-9,9-dimethylfluorene;fluoro(diphenyl)borane

1-bromo-9,9-dimethylfluorene;fluoro(diphenyl)borane (PubChem CID 158899890) has the molecular formula C27H23BBrF and a molecular weight of 457.20 g/mol. Its IUPAC name is 1-bromo-9,9-dimethylfluorene;fluoro(diphenyl)borane.

Molecular Properties

Compound Name1-bromo-9,9-dimethylfluorene;fluoro(diphenyl)borane
PubChem CID158899890
Molecular FormulaC27H23BBrF
Molecular Weight457.20 g/mol
Exact Mass456.11
IUPAC Name1-bromo-9,9-dimethylfluorene;fluoro(diphenyl)borane
SMILESCC1(C)c2ccccc2-c2cccc(Br)c21.FB(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H13Br.C12H10BF/c1-15(2)12-8-4-3-6-10(12)11-7-5-9-13(16)14(11)15;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h3-9H,1-2H3;1-10H
InChIKeyJFHLBSGJJOKCHH-UHFFFAOYSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.20
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 142567703
1-bromo-9,9-dimethylfluorene;2-(9,9-dimethylfluoren-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158362901
8-bromo-9,9-dimethylindeno[2,1-c]pyridine
CID 139525003
9,9-dimethyl-1-phenylfluorene;methane
CID 142541097
9,9-dimethyl-1-naphthalen-1-ylfluorene
CID 144938636
2-[4-(5-bromo-9,9,10,10-tetramethylanthracen-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163806857
3-(3-bromo-2-fluorophenyl)-9,9-dimethylfluorene
CID 142515722
11,11-dimethylbenzo[a]fluorene;ethane
CID 144938734
6-bromo-11,11-dimethylbenzo[a]fluorene
CID 155318624
4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
3-(8-bromo-9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
CID 142720413
11,11-dimethylindeno[2,1-a]phenanthrene;ethane
CID 91470717

Frequently Asked Questions

What is the IUPAC name of 1-bromo-9,9-dimethylfluorene;fluoro(diphenyl)borane?
The IUPAC name of 1-bromo-9,9-dimethylfluorene;fluoro(diphenyl)borane (CID 158899890) is 1-bromo-9,9-dimethylfluorene;fluoro(diphenyl)borane.
What is the SMILES notation for 1-bromo-9,9-dimethylfluorene;fluoro(diphenyl)borane?
The canonical SMILES for 1-bromo-9,9-dimethylfluorene;fluoro(diphenyl)borane is CC1(C)c2ccccc2-c2cccc(Br)c21.FB(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-bromo-9,9-dimethylfluorene;fluoro(diphenyl)borane?
The InChIKey is JFHLBSGJJOKCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br.C12H10BF/c1-15(2)12-8-4-3-6-10(12)11-7-5-9-13(16)14(11)15;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h3-9H,1-2H3;1-10H.
What are the key properties of 1-bromo-9,9-dimethylfluorene;fluoro(diphenyl)borane?
1-bromo-9,9-dimethylfluorene;fluoro(diphenyl)borane has a molecular weight of 457.20 g/mol, XLogP of 6.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-9,9-dimethylfluorene;fluoro(diphenyl)borane is sourced from PubChem (CID 158899890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).