dilithium;bis(2-methylphenyl)-diphenylsilane;1-bromo-2-methylbenzene;dichloro(diphenyl)silane;hydride;methylbenzene

C52H49BrCl2Li2Si2 — CID 157125033

IUPACdilithium;bis(2-methylphenyl)-diphenylsilane;1-bromo-2-methylbenzene;dichloro(diphenyl)silane;hydride;methylbenzene
SMILESCc1[c-]cccc1.Cc1ccccc1Br.Cc1ccccc1[Si](c1ccccc1)(c1ccccc1)c1ccccc1C.Cl[Si](Cl)(c1ccccc1)c1ccccc1.[H-].[Li+].[Li+]
InChIInChI=1S/C26H24Si.C12H10Cl2Si.C7H7Br.C7H7.2Li.H/c1-21-13-9-11-19-25(21)27(23-15-5-3-6-16-23,24-17-7-4-8-18-24)26-20-12-10-14-22(26)2;13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-6-4-2-3-5-7(6)8;1-7-5-3-2-4-6-7;;;/h3-20H,1-2H3;1-10H;2-5H,1H3;2-5H,1H3;;;/q;;;-1;2*+1;-1
InChIKeyZKNUGBVNENIPBN-UHFFFAOYSA-N
MW894.83 g/mol
LogP5.07
Rot. Bonds6

About dilithium;bis(2-methylphenyl)-diphenylsilane;1-bromo-2-methylbenzene;dichloro(diphenyl)silane;hydride;methylbenzene

dilithium;bis(2-methylphenyl)-diphenylsilane;1-bromo-2-methylbenzene;dichloro(diphenyl)silane;hydride;methylbenzene (PubChem CID 157125033) has the molecular formula C52H49BrCl2Li2Si2 and a molecular weight of 894.83 g/mol. Its IUPAC name is dilithium;bis(2-methylphenyl)-diphenylsilane;1-bromo-2-methylbenzene;dichloro(diphenyl)silane;hydride;methylbenzene.

Molecular Properties

Compound Namedilithium;bis(2-methylphenyl)-diphenylsilane;1-bromo-2-methylbenzene;dichloro(diphenyl)silane;hydride;methylbenzene
PubChem CID157125033
Molecular FormulaC52H49BrCl2Li2Si2
Molecular Weight894.83 g/mol
Exact Mass892.23
IUPAC Namedilithium;bis(2-methylphenyl)-diphenylsilane;1-bromo-2-methylbenzene;dichloro(diphenyl)silane;hydride;methylbenzene
SMILESCc1[c-]cccc1.Cc1ccccc1Br.Cc1ccccc1[Si](c1ccccc1)(c1ccccc1)c1ccccc1C.Cl[Si](Cl)(c1ccccc1)c1ccccc1.[H-].[Li+].[Li+]
InChIInChI=1S/C26H24Si.C12H10Cl2Si.C7H7Br.C7H7.2Li.H/c1-21-13-9-11-19-25(21)27(23-15-5-3-6-16-23,24-17-7-4-8-18-24)26-20-12-10-14-22(26)2;13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-6-4-2-3-5-7(6)8;1-7-5-3-2-4-6-7;;;/h3-20H,1-2H3;1-10H;2-5H,1H3;2-5H,1H3;;;/q;;;-1;2*+1;-1
InChIKeyZKNUGBVNENIPBN-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.83
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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;bis(2-methylphenyl)-diphenylsilane;1-bromo-2-methylbenzene;dichloro(diphenyl)silane;hydride;methylbenzene?
The IUPAC name of dilithium;bis(2-methylphenyl)-diphenylsilane;1-bromo-2-methylbenzene;dichloro(diphenyl)silane;hydride;methylbenzene (CID 157125033) is dilithium;bis(2-methylphenyl)-diphenylsilane;1-bromo-2-methylbenzene;dichloro(diphenyl)silane;hydride;methylbenzene.
What is the SMILES notation for dilithium;bis(2-methylphenyl)-diphenylsilane;1-bromo-2-methylbenzene;dichloro(diphenyl)silane;hydride;methylbenzene?
The canonical SMILES for dilithium;bis(2-methylphenyl)-diphenylsilane;1-bromo-2-methylbenzene;dichloro(diphenyl)silane;hydride;methylbenzene is Cc1[c-]cccc1.Cc1ccccc1Br.Cc1ccccc1[Si](c1ccccc1)(c1ccccc1)c1ccccc1C.Cl[Si](Cl)(c1ccccc1)c1ccccc1.[H-].[Li+].[Li+].
What is the InChIKey of dilithium;bis(2-methylphenyl)-diphenylsilane;1-bromo-2-methylbenzene;dichloro(diphenyl)silane;hydride;methylbenzene?
The InChIKey is ZKNUGBVNENIPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Si.C12H10Cl2Si.C7H7Br.C7H7.2Li.H/c1-21-13-9-11-19-25(21)27(23-15-5-3-6-16-23,24-17-7-4-8-18-24)26-20-12-10-14-22(26)2;13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-6-4-2-3-5-7(6)8;1-7-5-3-2-4-6-7;;;/h3-20H,1-2H3;1-10H;2-5H,1H3;2-5H,1H3;;;/q;;;-1;2*+1;-1.
What are the key properties of dilithium;bis(2-methylphenyl)-diphenylsilane;1-bromo-2-methylbenzene;dichloro(diphenyl)silane;hydride;methylbenzene?
dilithium;bis(2-methylphenyl)-diphenylsilane;1-bromo-2-methylbenzene;dichloro(diphenyl)silane;hydride;methylbenzene has a molecular weight of 894.83 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;bis(2-methylphenyl)-diphenylsilane;1-bromo-2-methylbenzene;dichloro(diphenyl)silane;hydride;methylbenzene is sourced from PubChem (CID 157125033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).