2-bromo-7,9,9-trimethylfluorene;deuterium monohydride;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C30H49B2BrO4 — CID 162105007

IUPAC2-bromo-7,9,9-trimethylfluorene;deuterium monohydride;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESC.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1ccc2c(c1)C(C)(C)c1cc(Br)ccc1-2.[H][2H]
InChIInChI=1S/C16H15Br.C12H24B2O4.2CH4.H2/c1-10-4-6-12-13-7-5-11(17)9-15(13)16(2,3)14(12)8-10;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;;;/h4-9H,1-3H3;1-8H3;2*1H4;1H/i;;;;1+1
InChIKeyABCDVWTUKSFKJR-RCUQKECRSA-N
MW576.25 g/mol
LogP8.83
Rot. Bonds1

About 2-bromo-7,9,9-trimethylfluorene;deuterium monohydride;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

2-bromo-7,9,9-trimethylfluorene;deuterium monohydride;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 162105007) has the molecular formula C30H49B2BrO4 and a molecular weight of 576.25 g/mol. Its IUPAC name is 2-bromo-7,9,9-trimethylfluorene;deuterium monohydride;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-bromo-7,9,9-trimethylfluorene;deuterium monohydride;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID162105007
Molecular FormulaC30H49B2BrO4
Molecular Weight576.25 g/mol
Exact Mass575.31
IUPAC Name2-bromo-7,9,9-trimethylfluorene;deuterium monohydride;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESC.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1ccc2c(c1)C(C)(C)c1cc(Br)ccc1-2.[H][2H]
InChIInChI=1S/C16H15Br.C12H24B2O4.2CH4.H2/c1-10-4-6-12-13-7-5-11(17)9-15(13)16(2,3)14(12)8-10;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;;;/h4-9H,1-3H3;1-8H3;2*1H4;1H/i;;;;1+1
InChIKeyABCDVWTUKSFKJR-RCUQKECRSA-N
XLogP8.83
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.25
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-bromo-7,9,9-trimethylfluorene;deuterium monohydride;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane with MolForge

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Related Compounds

2,7,9,9-tetramethylfluorene
CID 22951928
bis(7-bromo-9,9-dimethylfluoren-2-yl)-dimethylsilane;2,7-dibromo-9,9-dimethylfluorene
CID 158874944
2,6,9,9-tetramethylfluorene
CID 23527438
ethane;methane;2,9,9-trimethylfluorene
CID 144920604
2-(9-bromo-7,7-dimethylbenzo[c]fluoren-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 143729801
2-bromo-7-methyl-9,9-bis(3-methylphenyl)fluorene
CID 160868651
2-(2-but-3-en-2-yl-4-methylphenyl)-7,9,9-trimethylfluorene
CID 123535187
2-bromo-7-dimethylphosphoryl-9,9-dimethylfluorene
CID 169262128
2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939597
2-bromo-7-methylspiro[fluorene-9,4'-piperidine]
CID 122492124
2-bromo-8,10,10-trimethylindeno[1,2-b][1]benzothiole
CID 118312983
2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene
CID 58943521

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7,9,9-trimethylfluorene;deuterium monohydride;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 2-bromo-7,9,9-trimethylfluorene;deuterium monohydride;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 162105007) is 2-bromo-7,9,9-trimethylfluorene;deuterium monohydride;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 2-bromo-7,9,9-trimethylfluorene;deuterium monohydride;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 2-bromo-7,9,9-trimethylfluorene;deuterium monohydride;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is C.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1ccc2c(c1)C(C)(C)c1cc(Br)ccc1-2.[H][2H].
What is the InChIKey of 2-bromo-7,9,9-trimethylfluorene;deuterium monohydride;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is ABCDVWTUKSFKJR-RCUQKECRSA-N. The full InChI is InChI=1S/C16H15Br.C12H24B2O4.2CH4.H2/c1-10-4-6-12-13-7-5-11(17)9-15(13)16(2,3)14(12)8-10;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;;;/h4-9H,1-3H3;1-8H3;2*1H4;1H/i;;;;1+1.
What are the key properties of 2-bromo-7,9,9-trimethylfluorene;deuterium monohydride;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
2-bromo-7,9,9-trimethylfluorene;deuterium monohydride;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 576.25 g/mol, XLogP of 8.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7,9,9-trimethylfluorene;deuterium monohydride;methane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 162105007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).