dilithium;7-bromo-9,9-dioctyl-2H-fluoren-2-ide;butane;2,7-dibromo-9,9-dioctylfluorene;tetrachlorosilane;tetrakis(7-bromo-9,9-dioctylfluoren-2-yl)silane

C178H249Br7Cl4Li2Si2 — CID 159514211

IUPACdilithium;7-bromo-9,9-dioctyl-2H-fluoren-2-ide;butane;2,7-dibromo-9,9-dioctylfluorene;tetrachlorosilane;tetrakis(7-bromo-9,9-dioctylfluoren-2-yl)silane
SMILESCCCCCCCCC1(CCCCCCCC)c2c[c-]ccc2-c2ccc(Br)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc([Si](c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3cc(Br)ccc3-4)(c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3cc(Br)ccc3-4)c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3cc(Br)ccc3-4)cc21.Cl[Si](Cl)(Cl)Cl.[CH2-]CCC.[Li+].[Li+]
InChIInChI=1S/C116H160Br4Si.C29H40Br2.C29H40Br.C4H9.Cl4Si.2Li/c1-9-17-25-33-41-49-73-113(74-50-42-34-26-18-10-2)105-81-89(117)57-65-97(105)101-69-61-93(85-109(101)113)121(94-62-70-102-98-66-58-90(118)82-106(98)114(110(102)86-94,75-51-43-35-27-19-11-3)76-52-44-36-28-20-12-4,95-63-71-103-99-67-59-91(119)83-107(99)115(111(103)87-95,77-53-45-37-29-21-13-5)78-54-46-38-30-22-14-6)96-64-72-104-100-68-60-92(120)84-108(100)116(112(104)88-96,79-55-47-39-31-23-15-7)80-56-48-40-32-24-16-8;1-3-5-7-9-11-13-19-29(20-14-12-10-8-6-4-2)27-21-23(30)15-17-25(27)26-18-16-24(31)22-28(26)29;1-3-5-7-9-11-15-21-29(22-16-12-10-8-6-4-2)27-18-14-13-17-25(27)26-20-19-24(30)23-28(26)29;1-3-4-2;1-5(2,3)4;;/h57-72,81-88H,9-56,73-80H2,1-8H3;15-18,21-22H,3-14,19-20H2,1-2H3;13,17-20,23H,3-12,15-16,21-22H2,1-2H3;1,3-4H2,2H3;;;/q;;2*-1;;2*+1
InChIKeyYIKAZFMJTQHFQV-UHFFFAOYSA-N
MW3160.14 g/mol
LogP56.19
Rot. Bonds89

About dilithium;7-bromo-9,9-dioctyl-2H-fluoren-2-ide;butane;2,7-dibromo-9,9-dioctylfluorene;tetrachlorosilane;tetrakis(7-bromo-9,9-dioctylfluoren-2-yl)silane

dilithium;7-bromo-9,9-dioctyl-2H-fluoren-2-ide;butane;2,7-dibromo-9,9-dioctylfluorene;tetrachlorosilane;tetrakis(7-bromo-9,9-dioctylfluoren-2-yl)silane (PubChem CID 159514211) has the molecular formula C178H249Br7Cl4Li2Si2 and a molecular weight of 3160.14 g/mol. Its IUPAC name is dilithium;7-bromo-9,9-dioctyl-2H-fluoren-2-ide;butane;2,7-dibromo-9,9-dioctylfluorene;tetrachlorosilane;tetrakis(7-bromo-9,9-dioctylfluoren-2-yl)silane.

Molecular Properties

Compound Namedilithium;7-bromo-9,9-dioctyl-2H-fluoren-2-ide;butane;2,7-dibromo-9,9-dioctylfluorene;tetrachlorosilane;tetrakis(7-bromo-9,9-dioctylfluoren-2-yl)silane
PubChem CID159514211
Molecular FormulaC178H249Br7Cl4Li2Si2
Molecular Weight3160.14 g/mol
Exact Mass3149.24
IUPAC Namedilithium;7-bromo-9,9-dioctyl-2H-fluoren-2-ide;butane;2,7-dibromo-9,9-dioctylfluorene;tetrachlorosilane;tetrakis(7-bromo-9,9-dioctylfluoren-2-yl)silane
SMILESCCCCCCCCC1(CCCCCCCC)c2c[c-]ccc2-c2ccc(Br)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc([Si](c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3cc(Br)ccc3-4)(c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3cc(Br)ccc3-4)c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3cc(Br)ccc3-4)cc21.Cl[Si](Cl)(Cl)Cl.[CH2-]CCC.[Li+].[Li+]
InChIInChI=1S/C116H160Br4Si.C29H40Br2.C29H40Br.C4H9.Cl4Si.2Li/c1-9-17-25-33-41-49-73-113(74-50-42-34-26-18-10-2)105-81-89(117)57-65-97(105)101-69-61-93(85-109(101)113)121(94-62-70-102-98-66-58-90(118)82-106(98)114(110(102)86-94,75-51-43-35-27-19-11-3)76-52-44-36-28-20-12-4,95-63-71-103-99-67-59-91(119)83-107(99)115(111(103)87-95,77-53-45-37-29-21-13-5)78-54-46-38-30-22-14-6)96-64-72-104-100-68-60-92(120)84-108(100)116(112(104)88-96,79-55-47-39-31-23-15-7)80-56-48-40-32-24-16-8;1-3-5-7-9-11-13-19-29(20-14-12-10-8-6-4-2)27-21-23(30)15-17-25(27)26-18-16-24(31)22-28(26)29;1-3-5-7-9-11-15-21-29(22-16-12-10-8-6-4-2)27-18-14-13-17-25(27)26-20-19-24(30)23-28(26)29;1-3-4-2;1-5(2,3)4;;/h57-72,81-88H,9-56,73-80H2,1-8H3;15-18,21-22H,3-14,19-20H2,1-2H3;13,17-20,23H,3-12,15-16,21-22H2,1-2H3;1,3-4H2,2H3;;;/q;;2*-1;;2*+1
InChIKeyYIKAZFMJTQHFQV-UHFFFAOYSA-N
XLogP56.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds89
Heavy Atoms193
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003160.14
LogP ≤ 556.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dilithium;7-bromo-9,9-dioctyl-2H-fluoren-2-ide;butane;2,7-dibromo-9,9-dioctylfluorene;tetrachlorosilane;tetrakis(7-bromo-9,9-dioctylfluoren-2-yl)silane?
The IUPAC name of dilithium;7-bromo-9,9-dioctyl-2H-fluoren-2-ide;butane;2,7-dibromo-9,9-dioctylfluorene;tetrachlorosilane;tetrakis(7-bromo-9,9-dioctylfluoren-2-yl)silane (CID 159514211) is dilithium;7-bromo-9,9-dioctyl-2H-fluoren-2-ide;butane;2,7-dibromo-9,9-dioctylfluorene;tetrachlorosilane;tetrakis(7-bromo-9,9-dioctylfluoren-2-yl)silane.
What is the SMILES notation for dilithium;7-bromo-9,9-dioctyl-2H-fluoren-2-ide;butane;2,7-dibromo-9,9-dioctylfluorene;tetrachlorosilane;tetrakis(7-bromo-9,9-dioctylfluoren-2-yl)silane?
The canonical SMILES for dilithium;7-bromo-9,9-dioctyl-2H-fluoren-2-ide;butane;2,7-dibromo-9,9-dioctylfluorene;tetrachlorosilane;tetrakis(7-bromo-9,9-dioctylfluoren-2-yl)silane is CCCCCCCCC1(CCCCCCCC)c2c[c-]ccc2-c2ccc(Br)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc([Si](c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3cc(Br)ccc3-4)(c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3cc(Br)ccc3-4)c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3cc(Br)ccc3-4)cc21.Cl[Si](Cl)(Cl)Cl.[CH2-]CCC.[Li+].[Li+].
What is the InChIKey of dilithium;7-bromo-9,9-dioctyl-2H-fluoren-2-ide;butane;2,7-dibromo-9,9-dioctylfluorene;tetrachlorosilane;tetrakis(7-bromo-9,9-dioctylfluoren-2-yl)silane?
The InChIKey is YIKAZFMJTQHFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H160Br4Si.C29H40Br2.C29H40Br.C4H9.Cl4Si.2Li/c1-9-17-25-33-41-49-73-113(74-50-42-34-26-18-10-2)105-81-89(117)57-65-97(105)101-69-61-93(85-109(101)113)121(94-62-70-102-98-66-58-90(118)82-106(98)114(110(102)86-94,75-51-43-35-27-19-11-3)76-52-44-36-28-20-12-4,95-63-71-103-99-67-59-91(119)83-107(99)115(111(103)87-95,77-53-45-37-29-21-13-5)78-54-46-38-30-22-14-6)96-64-72-104-100-68-60-92(120)84-108(100)116(112(104)88-96,79-55-47-39-31-23-15-7)80-56-48-40-32-24-16-8;1-3-5-7-9-11-13-19-29(20-14-12-10-8-6-4-2)27-21-23(30)15-17-25(27)26-18-16-24(31)22-28(26)29;1-3-5-7-9-11-15-21-29(22-16-12-10-8-6-4-2)27-18-14-13-17-25(27)26-20-19-24(30)23-28(26)29;1-3-4-2;1-5(2,3)4;;/h57-72,81-88H,9-56,73-80H2,1-8H3;15-18,21-22H,3-14,19-20H2,1-2H3;13,17-20,23H,3-12,15-16,21-22H2,1-2H3;1,3-4H2,2H3;;;/q;;2*-1;;2*+1.
What are the key properties of dilithium;7-bromo-9,9-dioctyl-2H-fluoren-2-ide;butane;2,7-dibromo-9,9-dioctylfluorene;tetrachlorosilane;tetrakis(7-bromo-9,9-dioctylfluoren-2-yl)silane?
dilithium;7-bromo-9,9-dioctyl-2H-fluoren-2-ide;butane;2,7-dibromo-9,9-dioctylfluorene;tetrachlorosilane;tetrakis(7-bromo-9,9-dioctylfluoren-2-yl)silane has a molecular weight of 3160.14 g/mol, XLogP of 56.19, 89 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;7-bromo-9,9-dioctyl-2H-fluoren-2-ide;butane;2,7-dibromo-9,9-dioctylfluorene;tetrachlorosilane;tetrakis(7-bromo-9,9-dioctylfluoren-2-yl)silane is sourced from PubChem (CID 159514211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).