dilithium;5-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(4-bromo-2-methyl-1H-inden-1-yl)-trimethylsilane;carbanide;bis(2,7-dibromo-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene);ethane;tetrabromozirconium;tetrachlorotitanium;tribromozirconium;trichlorotitanium(1+);bromide

C54H89Br14Cl7Li2SiTi2Zr2- — CID 162267756

IUPACdilithium;5-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(4-bromo-2-methyl-1H-inden-1-yl)-trimethylsilane;carbanide;bis(2,7-dibromo-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene);ethane;tetrabromozirconium;tetrachlorotitanium;tribromozirconium;trichlorotitanium(1+);bromide
SMILESBrC1CCC2C(C1)CC1CC(Br)CCC12.BrC1CCC2C(C1)CC1CC(Br)CCC12.Br[Zr](Br)(Br)Br.Br[Zr](Br)Br.CC.CC1=Cc2c(Br)cccc2C1[Si](C)(C)C.CC1CC2CCC(Br)CC2C1.Cl[Ti+](Cl)Cl.Cl[Ti](Cl)(Cl)Cl.[Br-].[CH3-].[CH3-].[CH3-].[Li+].[Li+]
InChIInChI=1S/2C13H20Br2.C13H17BrSi.C10H17Br.C2H6.3CH3.8BrH.7ClH.2Li.2Ti.2Zr/c2*14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12;1-9-8-11-10(6-5-7-12(11)14)13(9)15(2,3)4;1-7-4-8-2-3-10(11)6-9(8)5-7;1-2;;;;;;;;;;;;;;;;;;;;;;;;/h2*8-13H,1-7H2;5-8,13H,1-4H3;7-10H,2-6H2,1H3;1-2H3;3*1H3;15*1H;;;;;;/q;;;;;3*-1;;;;;;;;;;;;;;;;2*+1;2*+4;+3;+4/p-15
InChIKeyHWLYABHCKOZJSU-UHFFFAOYSA-A
MW2425.28 g/mol
LogP22.05
Rot. Bonds1

About dilithium;5-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(4-bromo-2-methyl-1H-inden-1-yl)-trimethylsilane;carbanide;bis(2,7-dibromo-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene);ethane;tetrabromozirconium;tetrachlorotitanium;tribromozirconium;trichlorotitanium(1+);bromide

dilithium;5-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(4-bromo-2-methyl-1H-inden-1-yl)-trimethylsilane;carbanide;bis(2,7-dibromo-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene);ethane;tetrabromozirconium;tetrachlorotitanium;tribromozirconium;trichlorotitanium(1+);bromide (PubChem CID 162267756) has the molecular formula C54H89Br14Cl7Li2SiTi2Zr2- and a molecular weight of 2425.28 g/mol. Its IUPAC name is dilithium;5-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(4-bromo-2-methyl-1H-inden-1-yl)-trimethylsilane;carbanide;bis(2,7-dibromo-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene);ethane;tetrabromozirconium;tetrachlorotitanium;tribromozirconium;trichlorotitanium(1+);bromide.

Molecular Properties

Compound Namedilithium;5-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(4-bromo-2-methyl-1H-inden-1-yl)-trimethylsilane;carbanide;bis(2,7-dibromo-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene);ethane;tetrabromozirconium;tetrachlorotitanium;tribromozirconium;trichlorotitanium(1+);bromide
PubChem CID162267756
Molecular FormulaC54H89Br14Cl7Li2SiTi2Zr2-
Molecular Weight2425.28 g/mol
Exact Mass2405.05
IUPAC Namedilithium;5-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(4-bromo-2-methyl-1H-inden-1-yl)-trimethylsilane;carbanide;bis(2,7-dibromo-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene);ethane;tetrabromozirconium;tetrachlorotitanium;tribromozirconium;trichlorotitanium(1+);bromide
SMILESBrC1CCC2C(C1)CC1CC(Br)CCC12.BrC1CCC2C(C1)CC1CC(Br)CCC12.Br[Zr](Br)(Br)Br.Br[Zr](Br)Br.CC.CC1=Cc2c(Br)cccc2C1[Si](C)(C)C.CC1CC2CCC(Br)CC2C1.Cl[Ti+](Cl)Cl.Cl[Ti](Cl)(Cl)Cl.[Br-].[CH3-].[CH3-].[CH3-].[Li+].[Li+]
InChIInChI=1S/2C13H20Br2.C13H17BrSi.C10H17Br.C2H6.3CH3.8BrH.7ClH.2Li.2Ti.2Zr/c2*14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12;1-9-8-11-10(6-5-7-12(11)14)13(9)15(2,3)4;1-7-4-8-2-3-10(11)6-9(8)5-7;1-2;;;;;;;;;;;;;;;;;;;;;;;;/h2*8-13H,1-7H2;5-8,13H,1-4H3;7-10H,2-6H2,1H3;1-2H3;3*1H3;15*1H;;;;;;/q;;;;;3*-1;;;;;;;;;;;;;;;;2*+1;2*+4;+3;+4/p-15
InChIKeyHWLYABHCKOZJSU-UHFFFAOYSA-A
XLogP22.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002425.28
LogP ≤ 522.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dilithium;5-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(4-bromo-2-methyl-1H-inden-1-yl)-trimethylsilane;carbanide;bis(2,7-dibromo-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene);ethane;tetrabromozirconium;tetrachlorotitanium;tribromozirconium;trichlorotitanium(1+);bromide with MolForge

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Frequently Asked Questions

What is the IUPAC name of dilithium;5-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(4-bromo-2-methyl-1H-inden-1-yl)-trimethylsilane;carbanide;bis(2,7-dibromo-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene);ethane;tetrabromozirconium;tetrachlorotitanium;tribromozirconium;trichlorotitanium(1+);bromide?
The IUPAC name of dilithium;5-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(4-bromo-2-methyl-1H-inden-1-yl)-trimethylsilane;carbanide;bis(2,7-dibromo-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene);ethane;tetrabromozirconium;tetrachlorotitanium;tribromozirconium;trichlorotitanium(1+);bromide (CID 162267756) is dilithium;5-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(4-bromo-2-methyl-1H-inden-1-yl)-trimethylsilane;carbanide;bis(2,7-dibromo-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene);ethane;tetrabromozirconium;tetrachlorotitanium;tribromozirconium;trichlorotitanium(1+);bromide.
What is the SMILES notation for dilithium;5-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(4-bromo-2-methyl-1H-inden-1-yl)-trimethylsilane;carbanide;bis(2,7-dibromo-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene);ethane;tetrabromozirconium;tetrachlorotitanium;tribromozirconium;trichlorotitanium(1+);bromide?
The canonical SMILES for dilithium;5-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(4-bromo-2-methyl-1H-inden-1-yl)-trimethylsilane;carbanide;bis(2,7-dibromo-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene);ethane;tetrabromozirconium;tetrachlorotitanium;tribromozirconium;trichlorotitanium(1+);bromide is BrC1CCC2C(C1)CC1CC(Br)CCC12.BrC1CCC2C(C1)CC1CC(Br)CCC12.Br[Zr](Br)(Br)Br.Br[Zr](Br)Br.CC.CC1=Cc2c(Br)cccc2C1[Si](C)(C)C.CC1CC2CCC(Br)CC2C1.Cl[Ti+](Cl)Cl.Cl[Ti](Cl)(Cl)Cl.[Br-].[CH3-].[CH3-].[CH3-].[Li+].[Li+].
What is the InChIKey of dilithium;5-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(4-bromo-2-methyl-1H-inden-1-yl)-trimethylsilane;carbanide;bis(2,7-dibromo-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene);ethane;tetrabromozirconium;tetrachlorotitanium;tribromozirconium;trichlorotitanium(1+);bromide?
The InChIKey is HWLYABHCKOZJSU-UHFFFAOYSA-A. The full InChI is InChI=1S/2C13H20Br2.C13H17BrSi.C10H17Br.C2H6.3CH3.8BrH.7ClH.2Li.2Ti.2Zr/c2*14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12;1-9-8-11-10(6-5-7-12(11)14)13(9)15(2,3)4;1-7-4-8-2-3-10(11)6-9(8)5-7;1-2;;;;;;;;;;;;;;;;;;;;;;;;/h2*8-13H,1-7H2;5-8,13H,1-4H3;7-10H,2-6H2,1H3;1-2H3;3*1H3;15*1H;;;;;;/q;;;;;3*-1;;;;;;;;;;;;;;;;2*+1;2*+4;+3;+4/p-15.
What are the key properties of dilithium;5-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(4-bromo-2-methyl-1H-inden-1-yl)-trimethylsilane;carbanide;bis(2,7-dibromo-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene);ethane;tetrabromozirconium;tetrachlorotitanium;tribromozirconium;trichlorotitanium(1+);bromide?
dilithium;5-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(4-bromo-2-methyl-1H-inden-1-yl)-trimethylsilane;carbanide;bis(2,7-dibromo-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene);ethane;tetrabromozirconium;tetrachlorotitanium;tribromozirconium;trichlorotitanium(1+);bromide has a molecular weight of 2425.28 g/mol, XLogP of 22.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;5-bromo-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;(4-bromo-2-methyl-1H-inden-1-yl)-trimethylsilane;carbanide;bis(2,7-dibromo-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene);ethane;tetrabromozirconium;tetrachlorotitanium;tribromozirconium;trichlorotitanium(1+);bromide is sourced from PubChem (CID 162267756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).