(4-bromo-2,6-dimethylphenyl)-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorozirconium(2+)

C20H34BrCl2NSiZr — CID 58675326

IUPAC(4-bromo-2,6-dimethylphenyl)-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorozirconium(2+)
SMILESCc1cc(Br)cc(C)c1[N-][Si](C)(C)C1C(C)C(C)C(C)C1C.Cl[Zr+2]Cl.[CH3-]
InChIInChI=1S/C19H31BrNSi.CH3.2ClH.Zr/c1-11-9-17(20)10-12(2)18(11)21-22(7,8)19-15(5)13(3)14(4)16(19)6;;;;/h9-10,13-16,19H,1-8H3;1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyPKEMPJLHLGJYSV-UHFFFAOYSA-L
MW558.62 g/mol
LogP9.03
Rot. Bonds3

About (4-bromo-2,6-dimethylphenyl)-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorozirconium(2+)

(4-bromo-2,6-dimethylphenyl)-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorozirconium(2+) (PubChem CID 58675326) has the molecular formula C20H34BrCl2NSiZr and a molecular weight of 558.62 g/mol. Its IUPAC name is (4-bromo-2,6-dimethylphenyl)-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorozirconium(2+).

Molecular Properties

Compound Name(4-bromo-2,6-dimethylphenyl)-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorozirconium(2+)
PubChem CID58675326
Molecular FormulaC20H34BrCl2NSiZr
Molecular Weight558.62 g/mol
Exact Mass555.01
IUPAC Name(4-bromo-2,6-dimethylphenyl)-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorozirconium(2+)
SMILESCc1cc(Br)cc(C)c1[N-][Si](C)(C)C1C(C)C(C)C(C)C1C.Cl[Zr+2]Cl.[CH3-]
InChIInChI=1S/C19H31BrNSi.CH3.2ClH.Zr/c1-11-9-17(20)10-12(2)18(11)21-22(7,8)19-15(5)13(3)14(4)16(19)6;;;;/h9-10,13-16,19H,1-8H3;1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyPKEMPJLHLGJYSV-UHFFFAOYSA-L
XLogP9.03
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.62
LogP ≤ 59.03
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'}

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Related Compounds

(4-bromo-2,6-dimethylphenyl)-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;4-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2,6-dimethylaniline;carbanide;dichlorotitanium
CID 162299027
(4-bromo-2,6-dimethylphenyl)methanediol
CID 21336315
2-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-4,6-dimethylaniline
CID 162299094
6-bromo-4-methyl-2-(2,4,5-trimethyloxolan-3-yl)-1H-benzimidazole
CID 104574521
3-(4-bromo-2,6-dimethylphenyl)-2,3-dihydroxypropanoic acid
CID 170825075
2,4-dibromo-6-methylbenzenesulfonyl chloride
CID 91678308
4-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2,6-dimethylaniline
CID 58897752
4-bromo-2,6-dimethylaniline;4-bromo-2,6-dimethyl-N,N-bis(trimethylsilyl)aniline
CID 161284183
5-[chloro-(3,5-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 107980953
4,12-dibromo-6,14-dimethyl-8,16,17-trioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
CID 66829012
3-(4-bromo-2,6-dimethylphenyl)-5-propan-2-yl-1,2,4-oxadiazole
CID 13237467
6-bromo-8-methyl-2,3-dihydroisoquinolin-3-amine
CID 143569776

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,6-dimethylphenyl)-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorozirconium(2+)?
The IUPAC name of (4-bromo-2,6-dimethylphenyl)-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorozirconium(2+) (CID 58675326) is (4-bromo-2,6-dimethylphenyl)-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorozirconium(2+).
What is the SMILES notation for (4-bromo-2,6-dimethylphenyl)-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorozirconium(2+)?
The canonical SMILES for (4-bromo-2,6-dimethylphenyl)-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorozirconium(2+) is Cc1cc(Br)cc(C)c1[N-][Si](C)(C)C1C(C)C(C)C(C)C1C.Cl[Zr+2]Cl.[CH3-].
What is the InChIKey of (4-bromo-2,6-dimethylphenyl)-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorozirconium(2+)?
The InChIKey is PKEMPJLHLGJYSV-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H31BrNSi.CH3.2ClH.Zr/c1-11-9-17(20)10-12(2)18(11)21-22(7,8)19-15(5)13(3)14(4)16(19)6;;;;/h9-10,13-16,19H,1-8H3;1H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of (4-bromo-2,6-dimethylphenyl)-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorozirconium(2+)?
(4-bromo-2,6-dimethylphenyl)-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorozirconium(2+) has a molecular weight of 558.62 g/mol, XLogP of 9.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,6-dimethylphenyl)-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorozirconium(2+) is sourced from PubChem (CID 58675326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).