carbanide;titanium(3+);tris(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

C41H63Si4Ti — CID 173473564

IUPACcarbanide;titanium(3+);tris(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCc1cc([Si](C)(C)C)cc([Si](c2cc(C)cc([Si](C)(C)C)c2)(c2cc(C)cc([Si](C)(C)C)c2)[c-]2c(C)c(C)c(C)c2C)c1.[CH3-].[CH3-].[Ti+3]
InChIInChI=1S/C39H57Si4.2CH3.Ti/c1-26-17-33(40(8,9)10)23-36(20-26)43(39-31(6)29(4)30(5)32(39)7,37-21-27(2)18-34(24-37)41(11,12)13)38-22-28(3)19-35(25-38)42(14,15)16;;;/h17-25H,1-16H3;2*1H3;/q3*-1;+3
InChIKeyMUZDPDJQEFFBNB-UHFFFAOYSA-N
MW716.17 g/mol
LogP7.48
Rot. Bonds7

About carbanide;titanium(3+);tris(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane

carbanide;titanium(3+);tris(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 173473564) has the molecular formula C41H63Si4Ti and a molecular weight of 716.17 g/mol. Its IUPAC name is carbanide;titanium(3+);tris(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Namecarbanide;titanium(3+);tris(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
PubChem CID173473564
Molecular FormulaC41H63Si4Ti
Molecular Weight716.17 g/mol
Exact Mass715.35
IUPAC Namecarbanide;titanium(3+);tris(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
SMILESCc1cc([Si](C)(C)C)cc([Si](c2cc(C)cc([Si](C)(C)C)c2)(c2cc(C)cc([Si](C)(C)C)c2)[c-]2c(C)c(C)c(C)c2C)c1.[CH3-].[CH3-].[Ti+3]
InChIInChI=1S/C39H57Si4.2CH3.Ti/c1-26-17-33(40(8,9)10)23-36(20-26)43(39-31(6)29(4)30(5)32(39)7,37-21-27(2)18-34(24-37)41(11,12)13)38-22-28(3)19-35(25-38)42(14,15)16;;;/h17-25H,1-16H3;2*1H3;/q3*-1;+3
InChIKeyMUZDPDJQEFFBNB-UHFFFAOYSA-N
XLogP7.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.17
LogP ≤ 57.48
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': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;titanium(3+);tris(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of carbanide;titanium(3+);tris(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane (CID 173473564) is carbanide;titanium(3+);tris(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for carbanide;titanium(3+);tris(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for carbanide;titanium(3+);tris(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is Cc1cc([Si](C)(C)C)cc([Si](c2cc(C)cc([Si](C)(C)C)c2)(c2cc(C)cc([Si](C)(C)C)c2)[c-]2c(C)c(C)c(C)c2C)c1.[CH3-].[CH3-].[Ti+3].
What is the InChIKey of carbanide;titanium(3+);tris(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is MUZDPDJQEFFBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H57Si4.2CH3.Ti/c1-26-17-33(40(8,9)10)23-36(20-26)43(39-31(6)29(4)30(5)32(39)7,37-21-27(2)18-34(24-37)41(11,12)13)38-22-28(3)19-35(25-38)42(14,15)16;;;/h17-25H,1-16H3;2*1H3;/q3*-1;+3.
What are the key properties of carbanide;titanium(3+);tris(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane?
carbanide;titanium(3+);tris(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 716.17 g/mol, XLogP of 7.48, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;titanium(3+);tris(3-methyl-5-trimethylsilylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 173473564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).