bis(7-bromo-9,9-dimethylfluoren-2-yl)-dimethylsilane;2,7-dibromo-9,9-dimethylfluorene

C47H42Br4Si — CID 158874944

IUPACbis(7-bromo-9,9-dimethylfluoren-2-yl)-dimethylsilane;2,7-dibromo-9,9-dimethylfluorene
SMILESCC1(C)c2cc(Br)ccc2-c2ccc(Br)cc21.CC1(C)c2cc(Br)ccc2-c2ccc([Si](C)(C)c3ccc4c(c3)C(C)(C)c3cc(Br)ccc3-4)cc21
InChIInChI=1S/C32H30Br2Si.C15H12Br2/c1-31(2)27-15-19(33)7-11-23(27)25-13-9-21(17-29(25)31)35(5,6)22-10-14-26-24-12-8-20(34)16-28(24)32(3,4)30(26)18-22;1-15(2)13-7-9(16)3-5-11(13)12-6-4-10(17)8-14(12)15/h7-18H,1-6H3;3-8H,1-2H3
InChIKeyJCHWIGATXDJJCB-UHFFFAOYSA-N
MW954.55 g/mol
LogP14.16
Rot. Bonds2

About bis(7-bromo-9,9-dimethylfluoren-2-yl)-dimethylsilane;2,7-dibromo-9,9-dimethylfluorene

bis(7-bromo-9,9-dimethylfluoren-2-yl)-dimethylsilane;2,7-dibromo-9,9-dimethylfluorene (PubChem CID 158874944) has the molecular formula C47H42Br4Si and a molecular weight of 954.55 g/mol. Its IUPAC name is bis(7-bromo-9,9-dimethylfluoren-2-yl)-dimethylsilane;2,7-dibromo-9,9-dimethylfluorene.

Molecular Properties

Compound Namebis(7-bromo-9,9-dimethylfluoren-2-yl)-dimethylsilane;2,7-dibromo-9,9-dimethylfluorene
PubChem CID158874944
Molecular FormulaC47H42Br4Si
Molecular Weight954.55 g/mol
Exact Mass949.98
IUPAC Namebis(7-bromo-9,9-dimethylfluoren-2-yl)-dimethylsilane;2,7-dibromo-9,9-dimethylfluorene
SMILESCC1(C)c2cc(Br)ccc2-c2ccc(Br)cc21.CC1(C)c2cc(Br)ccc2-c2ccc([Si](C)(C)c3ccc4c(c3)C(C)(C)c3cc(Br)ccc3-4)cc21
InChIInChI=1S/C32H30Br2Si.C15H12Br2/c1-31(2)27-15-19(33)7-11-23(27)25-13-9-21(17-29(25)31)35(5,6)22-10-14-26-24-12-8-20(34)16-28(24)32(3,4)30(26)18-22;1-15(2)13-7-9(16)3-5-11(13)12-6-4-10(17)8-14(12)15/h7-18H,1-6H3;3-8H,1-2H3
InChIKeyJCHWIGATXDJJCB-UHFFFAOYSA-N
XLogP14.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500954.55
LogP ≤ 514.16
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

2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939597
2-bromo-7-dimethylphosphoryl-9,9-dimethylfluorene
CID 169262128
3,9-dibromo-7,7-dimethyl-5H-indeno[2,1-b]carbazole
CID 156904639
2-bromo-6,6,12,12-tetramethyl-8-(2-phenylphenyl)indeno[1,2-b]fluorene
CID 86722507
2,7-dibromo-9,9-dimethyl-10H-acridine
CID 67414167
9-bromo-7,7-dimethylbenzo[a]phenalene
CID 118532943
2,7-dibromo-9-chloro-9-(2,7-dibromo-9-chlorofluoren-9-yl)fluorene
CID 101407207
2-(7-bromo-9,9-dimethylfluoren-2-yl)triphenylene
CID 171571856
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
9-bromo-7,7-dimethylfluoreno[2,3-b][1]benzofuran
CID 130288485
2-bromo-9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluorene
CID 66667960
2-bromo-9,9-bis(9,9-dimethylfluoren-2-yl)fluorene
CID 118245876

Frequently Asked Questions

What is the IUPAC name of bis(7-bromo-9,9-dimethylfluoren-2-yl)-dimethylsilane;2,7-dibromo-9,9-dimethylfluorene?
The IUPAC name of bis(7-bromo-9,9-dimethylfluoren-2-yl)-dimethylsilane;2,7-dibromo-9,9-dimethylfluorene (CID 158874944) is bis(7-bromo-9,9-dimethylfluoren-2-yl)-dimethylsilane;2,7-dibromo-9,9-dimethylfluorene.
What is the SMILES notation for bis(7-bromo-9,9-dimethylfluoren-2-yl)-dimethylsilane;2,7-dibromo-9,9-dimethylfluorene?
The canonical SMILES for bis(7-bromo-9,9-dimethylfluoren-2-yl)-dimethylsilane;2,7-dibromo-9,9-dimethylfluorene is CC1(C)c2cc(Br)ccc2-c2ccc(Br)cc21.CC1(C)c2cc(Br)ccc2-c2ccc([Si](C)(C)c3ccc4c(c3)C(C)(C)c3cc(Br)ccc3-4)cc21.
What is the InChIKey of bis(7-bromo-9,9-dimethylfluoren-2-yl)-dimethylsilane;2,7-dibromo-9,9-dimethylfluorene?
The InChIKey is JCHWIGATXDJJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30Br2Si.C15H12Br2/c1-31(2)27-15-19(33)7-11-23(27)25-13-9-21(17-29(25)31)35(5,6)22-10-14-26-24-12-8-20(34)16-28(24)32(3,4)30(26)18-22;1-15(2)13-7-9(16)3-5-11(13)12-6-4-10(17)8-14(12)15/h7-18H,1-6H3;3-8H,1-2H3.
What are the key properties of bis(7-bromo-9,9-dimethylfluoren-2-yl)-dimethylsilane;2,7-dibromo-9,9-dimethylfluorene?
bis(7-bromo-9,9-dimethylfluoren-2-yl)-dimethylsilane;2,7-dibromo-9,9-dimethylfluorene has a molecular weight of 954.55 g/mol, XLogP of 14.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(7-bromo-9,9-dimethylfluoren-2-yl)-dimethylsilane;2,7-dibromo-9,9-dimethylfluorene is sourced from PubChem (CID 158874944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).