bis(2,5-dimethylphenyl)-(3,5-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;carbanide;titanium(3+)

C35H45SiTi — CID 173473707

IUPACbis(2,5-dimethylphenyl)-(3,5-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;carbanide;titanium(3+)
SMILESCc1cc(C)cc([Si](c2cc(C)ccc2C)(c2cc(C)ccc2C)[c-]2c(C)c(C)c(C)c2C)c1.[CH3-].[CH3-].[Ti+3]
InChIInChI=1S/C33H39Si.2CH3.Ti/c1-20-11-13-24(5)31(18-20)34(30-16-22(3)15-23(4)17-30,32-19-21(2)12-14-25(32)6)33-28(9)26(7)27(8)29(33)10;;;/h11-19H,1-10H3;2*1H3;/q3*-1;+3
InChIKeyPXULENUSPYWQJS-UHFFFAOYSA-N
MW541.70 g/mol
LogP6.77
Rot. Bonds4

About bis(2,5-dimethylphenyl)-(3,5-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;carbanide;titanium(3+)

bis(2,5-dimethylphenyl)-(3,5-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;carbanide;titanium(3+) (PubChem CID 173473707) has the molecular formula C35H45SiTi and a molecular weight of 541.70 g/mol. Its IUPAC name is bis(2,5-dimethylphenyl)-(3,5-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;carbanide;titanium(3+).

Molecular Properties

Compound Namebis(2,5-dimethylphenyl)-(3,5-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;carbanide;titanium(3+)
PubChem CID173473707
Molecular FormulaC35H45SiTi
Molecular Weight541.70 g/mol
Exact Mass541.28
IUPAC Namebis(2,5-dimethylphenyl)-(3,5-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;carbanide;titanium(3+)
SMILESCc1cc(C)cc([Si](c2cc(C)ccc2C)(c2cc(C)ccc2C)[c-]2c(C)c(C)c(C)c2C)c1.[CH3-].[CH3-].[Ti+3]
InChIInChI=1S/C33H39Si.2CH3.Ti/c1-20-11-13-24(5)31(18-20)34(30-16-22(3)15-23(4)17-30,32-19-21(2)12-14-25(32)6)33-28(9)26(7)27(8)29(33)10;;;/h11-19H,1-10H3;2*1H3;/q3*-1;+3
InChIKeyPXULENUSPYWQJS-UHFFFAOYSA-N
XLogP6.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.70
LogP ≤ 56.77
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 bis(2,5-dimethylphenyl)-(3,5-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;carbanide;titanium(3+)?
The IUPAC name of bis(2,5-dimethylphenyl)-(3,5-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;carbanide;titanium(3+) (CID 173473707) is bis(2,5-dimethylphenyl)-(3,5-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;carbanide;titanium(3+).
What is the SMILES notation for bis(2,5-dimethylphenyl)-(3,5-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;carbanide;titanium(3+)?
The canonical SMILES for bis(2,5-dimethylphenyl)-(3,5-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;carbanide;titanium(3+) is Cc1cc(C)cc([Si](c2cc(C)ccc2C)(c2cc(C)ccc2C)[c-]2c(C)c(C)c(C)c2C)c1.[CH3-].[CH3-].[Ti+3].
What is the InChIKey of bis(2,5-dimethylphenyl)-(3,5-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;carbanide;titanium(3+)?
The InChIKey is PXULENUSPYWQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39Si.2CH3.Ti/c1-20-11-13-24(5)31(18-20)34(30-16-22(3)15-23(4)17-30,32-19-21(2)12-14-25(32)6)33-28(9)26(7)27(8)29(33)10;;;/h11-19H,1-10H3;2*1H3;/q3*-1;+3.
What are the key properties of bis(2,5-dimethylphenyl)-(3,5-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;carbanide;titanium(3+)?
bis(2,5-dimethylphenyl)-(3,5-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;carbanide;titanium(3+) has a molecular weight of 541.70 g/mol, XLogP of 6.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-dimethylphenyl)-(3,5-dimethylphenyl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane;carbanide;titanium(3+) is sourced from PubChem (CID 173473707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).