bis(2,7-dibromo-9-ethylfluoren-9-yl)-diphenylsilane;bis(9-ethylfluoren-9-yl)-diphenylsilane;bis(9H-fluoren-9-yl)-diphenylsilane;9H-fluorene

C135H106Br4Si3 — CID 159387371

IUPACbis(2,7-dibromo-9-ethylfluoren-9-yl)-diphenylsilane;bis(9-ethylfluoren-9-yl)-diphenylsilane;bis(9H-fluoren-9-yl)-diphenylsilane;9H-fluorene
SMILESCCC1([Si](c2ccccc2)(c2ccccc2)C2(CC)c3cc(Br)ccc3-c3ccc(Br)cc32)c2cc(Br)ccc2-c2ccc(Br)cc21.CCC1([Si](c2ccccc2)(c2ccccc2)C2(CC)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21.c1ccc([Si](c2ccccc2)(C2c3ccccc3-c3ccccc32)C2c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C42H32Br4Si.C42H36Si.C38H28Si.C13H10/c1-3-41(37-23-27(43)15-19-33(37)34-20-16-28(44)24-38(34)41)47(31-11-7-5-8-12-31,32-13-9-6-10-14-32)42(4-2)39-25-29(45)17-21-35(39)36-22-18-30(46)26-40(36)42;1-3-41(37-27-15-11-23-33(37)34-24-12-16-28-38(34)41)43(31-19-7-5-8-20-31,32-21-9-6-10-22-32)42(4-2)39-29-17-13-25-35(39)36-26-14-18-30-40(36)42;1-3-15-27(16-4-1)39(28-17-5-2-6-18-28,37-33-23-11-7-19-29(33)30-20-8-12-24-34(30)37)38-35-25-13-9-21-31(35)32-22-10-14-26-36(32)38;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h5-26H,3-4H2,1-2H3;5-30H,3-4H2,1-2H3;1-26,37-38H;1-8H,9H2
InChIKeyLLRBHIYATBMIAC-UHFFFAOYSA-N
MW2132.21 g/mol
LogP32.42
Rot. Bonds16

About bis(2,7-dibromo-9-ethylfluoren-9-yl)-diphenylsilane;bis(9-ethylfluoren-9-yl)-diphenylsilane;bis(9H-fluoren-9-yl)-diphenylsilane;9H-fluorene

bis(2,7-dibromo-9-ethylfluoren-9-yl)-diphenylsilane;bis(9-ethylfluoren-9-yl)-diphenylsilane;bis(9H-fluoren-9-yl)-diphenylsilane;9H-fluorene (PubChem CID 159387371) has the molecular formula C135H106Br4Si3 and a molecular weight of 2132.21 g/mol. Its IUPAC name is bis(2,7-dibromo-9-ethylfluoren-9-yl)-diphenylsilane;bis(9-ethylfluoren-9-yl)-diphenylsilane;bis(9H-fluoren-9-yl)-diphenylsilane;9H-fluorene.

Molecular Properties

Compound Namebis(2,7-dibromo-9-ethylfluoren-9-yl)-diphenylsilane;bis(9-ethylfluoren-9-yl)-diphenylsilane;bis(9H-fluoren-9-yl)-diphenylsilane;9H-fluorene
PubChem CID159387371
Molecular FormulaC135H106Br4Si3
Molecular Weight2132.21 g/mol
Exact Mass2126.43
IUPAC Namebis(2,7-dibromo-9-ethylfluoren-9-yl)-diphenylsilane;bis(9-ethylfluoren-9-yl)-diphenylsilane;bis(9H-fluoren-9-yl)-diphenylsilane;9H-fluorene
SMILESCCC1([Si](c2ccccc2)(c2ccccc2)C2(CC)c3cc(Br)ccc3-c3ccc(Br)cc32)c2cc(Br)ccc2-c2ccc(Br)cc21.CCC1([Si](c2ccccc2)(c2ccccc2)C2(CC)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21.c1ccc([Si](c2ccccc2)(C2c3ccccc3-c3ccccc32)C2c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C42H32Br4Si.C42H36Si.C38H28Si.C13H10/c1-3-41(37-23-27(43)15-19-33(37)34-20-16-28(44)24-38(34)41)47(31-11-7-5-8-12-31,32-13-9-6-10-14-32)42(4-2)39-25-29(45)17-21-35(39)36-22-18-30(46)26-40(36)42;1-3-41(37-27-15-11-23-33(37)34-24-12-16-28-38(34)41)43(31-19-7-5-8-20-31,32-21-9-6-10-22-32)42(4-2)39-29-17-13-25-35(39)36-26-14-18-30-40(36)42;1-3-15-27(16-4-1)39(28-17-5-2-6-18-28,37-33-23-11-7-19-29(33)30-20-8-12-24-34(30)37)38-35-25-13-9-21-31(35)32-22-10-14-26-36(32)38;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h5-26H,3-4H2,1-2H3;5-30H,3-4H2,1-2H3;1-26,37-38H;1-8H,9H2
InChIKeyLLRBHIYATBMIAC-UHFFFAOYSA-N
XLogP32.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms142
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002132.21
LogP ≤ 532.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2,7-dibromo-9-ethylfluoren-9-yl)-diphenylsilane;bis(9-ethylfluoren-9-yl)-diphenylsilane;bis(9H-fluoren-9-yl)-diphenylsilane;9H-fluorene?
The IUPAC name of bis(2,7-dibromo-9-ethylfluoren-9-yl)-diphenylsilane;bis(9-ethylfluoren-9-yl)-diphenylsilane;bis(9H-fluoren-9-yl)-diphenylsilane;9H-fluorene (CID 159387371) is bis(2,7-dibromo-9-ethylfluoren-9-yl)-diphenylsilane;bis(9-ethylfluoren-9-yl)-diphenylsilane;bis(9H-fluoren-9-yl)-diphenylsilane;9H-fluorene.
What is the SMILES notation for bis(2,7-dibromo-9-ethylfluoren-9-yl)-diphenylsilane;bis(9-ethylfluoren-9-yl)-diphenylsilane;bis(9H-fluoren-9-yl)-diphenylsilane;9H-fluorene?
The canonical SMILES for bis(2,7-dibromo-9-ethylfluoren-9-yl)-diphenylsilane;bis(9-ethylfluoren-9-yl)-diphenylsilane;bis(9H-fluoren-9-yl)-diphenylsilane;9H-fluorene is CCC1([Si](c2ccccc2)(c2ccccc2)C2(CC)c3cc(Br)ccc3-c3ccc(Br)cc32)c2cc(Br)ccc2-c2ccc(Br)cc21.CCC1([Si](c2ccccc2)(c2ccccc2)C2(CC)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21.c1ccc([Si](c2ccccc2)(C2c3ccccc3-c3ccccc32)C2c3ccccc3-c3ccccc32)cc1.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of bis(2,7-dibromo-9-ethylfluoren-9-yl)-diphenylsilane;bis(9-ethylfluoren-9-yl)-diphenylsilane;bis(9H-fluoren-9-yl)-diphenylsilane;9H-fluorene?
The InChIKey is LLRBHIYATBMIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32Br4Si.C42H36Si.C38H28Si.C13H10/c1-3-41(37-23-27(43)15-19-33(37)34-20-16-28(44)24-38(34)41)47(31-11-7-5-8-12-31,32-13-9-6-10-14-32)42(4-2)39-25-29(45)17-21-35(39)36-22-18-30(46)26-40(36)42;1-3-41(37-27-15-11-23-33(37)34-24-12-16-28-38(34)41)43(31-19-7-5-8-20-31,32-21-9-6-10-22-32)42(4-2)39-29-17-13-25-35(39)36-26-14-18-30-40(36)42;1-3-15-27(16-4-1)39(28-17-5-2-6-18-28,37-33-23-11-7-19-29(33)30-20-8-12-24-34(30)37)38-35-25-13-9-21-31(35)32-22-10-14-26-36(32)38;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h5-26H,3-4H2,1-2H3;5-30H,3-4H2,1-2H3;1-26,37-38H;1-8H,9H2.
What are the key properties of bis(2,7-dibromo-9-ethylfluoren-9-yl)-diphenylsilane;bis(9-ethylfluoren-9-yl)-diphenylsilane;bis(9H-fluoren-9-yl)-diphenylsilane;9H-fluorene?
bis(2,7-dibromo-9-ethylfluoren-9-yl)-diphenylsilane;bis(9-ethylfluoren-9-yl)-diphenylsilane;bis(9H-fluoren-9-yl)-diphenylsilane;9H-fluorene has a molecular weight of 2132.21 g/mol, XLogP of 32.42, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,7-dibromo-9-ethylfluoren-9-yl)-diphenylsilane;bis(9-ethylfluoren-9-yl)-diphenylsilane;bis(9H-fluoren-9-yl)-diphenylsilane;9H-fluorene is sourced from PubChem (CID 159387371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).