(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

C39H62Br2Cl2N2Si2Ti-2 — CID 162299027

IUPAC(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
SMILESCC1=C(C)C([Si](C)(C)Nc2c(C)cc(Br)cc2C)C(C)=C1C.Cc1cc(Br)cc(C)c1[N-][Si](C)(C)C1C(C)C(C)C(C)C1C.Cl[Ti]Cl.[CH3-]
InChIInChI=1S/C19H31BrNSi.C19H28BrNSi.CH3.2ClH.Ti/c2*1-11-9-17(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;9-10,19,21H,1-8H3;1H3;2*1H;/q-1;;-1;;;+2/p-2
InChIKeyOMFDSCLYTMWETL-UHFFFAOYSA-L
MW893.69 g/mol
LogP15.77
Rot. Bonds6

About (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

(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 (PubChem CID 162299027) has the molecular formula C39H62Br2Cl2N2Si2Ti-2 and a molecular weight of 893.69 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID162299027
Molecular FormulaC39H62Br2Cl2N2Si2Ti-2
Molecular Weight893.69 g/mol
Exact Mass890.17
IUPAC Name(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
SMILESCC1=C(C)C([Si](C)(C)Nc2c(C)cc(Br)cc2C)C(C)=C1C.Cc1cc(Br)cc(C)c1[N-][Si](C)(C)C1C(C)C(C)C(C)C1C.Cl[Ti]Cl.[CH3-]
InChIInChI=1S/C19H31BrNSi.C19H28BrNSi.CH3.2ClH.Ti/c2*1-11-9-17(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;9-10,19,21H,1-8H3;1H3;2*1H;/q-1;;-1;;;+2/p-2
InChIKeyOMFDSCLYTMWETL-UHFFFAOYSA-L
XLogP15.77
TPSA26.13 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.69
LogP ≤ 515.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

4-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2,6-dimethylaniline
CID 58897752
(4-bromo-2,6-dimethylphenyl)-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorozirconium(2+)
CID 58675326
2-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-4,6-dimethylaniline
CID 162299094
4-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2,6-dimethylaniline
CID 55193295
N-(4-bromo-2,6-dimethylphenyl)-2,2,2-trichloroacetamide
CID 880666
4-bromo-2-chloro-N-iodo-6-methylaniline
CID 163457566
N-(4-bromo-2,6-dimethylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 65499430
tert-butyl 4-(4-bromo-2,6-dimethylanilino)-4-oxobutanoate
CID 106706698
4-bromo-N-[(4-ethylphenyl)methyl]-2,6-dimethylaniline
CID 63449116
4-bromo-2,6-dimethyl-N-[(5-methyloxolan-2-yl)methyl]aniline
CID 82836352
4-bromo-2,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 63449383
N-(4-bromo-2,6-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 100801901

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1=C(C)C([Si](C)(C)Nc2c(C)cc(Br)cc2C)C(C)=C1C.Cc1cc(Br)cc(C)c1[N-][Si](C)(C)C1C(C)C(C)C(C)C1C.Cl[Ti]Cl.[CH3-].
What is the InChIKey of (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?
The InChIKey is OMFDSCLYTMWETL-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H31BrNSi.C19H28BrNSi.CH3.2ClH.Ti/c2*1-11-9-17(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;9-10,19,21H,1-8H3;1H3;2*1H;/q-1;;-1;;;+2/p-2.
What are the key properties of (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?
(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 has a molecular weight of 893.69 g/mol, XLogP of 15.77, 6 rotatable bonds, 1 hydrogen bond donors, and 1 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;4-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2,6-dimethylaniline;carbanide;dichlorotitanium is sourced from PubChem (CID 162299027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).