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

C29H41SiTi — CID 173473304

IUPACcarbanide;(3,5-diethylphenyl)-methyl-(4-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(3+)
SMILESCCc1cc(CC)cc([Si](C)(c2ccc(C)cc2)C2(C)[C-]=C(C)C(C)=C2C)c1.[CH3-].[CH3-].[Ti+3]
InChIInChI=1S/C27H35Si.2CH3.Ti/c1-9-23-15-24(10-2)17-26(16-23)28(8,25-13-11-19(3)12-14-25)27(7)18-20(4)21(5)22(27)6;;;/h11-17H,9-10H2,1-8H3;2*1H3;/q3*-1;+3
InChIKeyUKIPTXPPGWPMBO-UHFFFAOYSA-N
MW465.60 g/mol
LogP7.07
Rot. Bonds5

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

carbanide;(3,5-diethylphenyl)-methyl-(4-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(3+) (PubChem CID 173473304) has the molecular formula C29H41SiTi and a molecular weight of 465.60 g/mol. Its IUPAC name is carbanide;(3,5-diethylphenyl)-methyl-(4-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(3+).

Molecular Properties

Compound Namecarbanide;(3,5-diethylphenyl)-methyl-(4-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(3+)
PubChem CID173473304
Molecular FormulaC29H41SiTi
Molecular Weight465.60 g/mol
Exact Mass465.25
IUPAC Namecarbanide;(3,5-diethylphenyl)-methyl-(4-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(3+)
SMILESCCc1cc(CC)cc([Si](C)(c2ccc(C)cc2)C2(C)[C-]=C(C)C(C)=C2C)c1.[CH3-].[CH3-].[Ti+3]
InChIInChI=1S/C27H35Si.2CH3.Ti/c1-9-23-15-24(10-2)17-26(16-23)28(8,25-13-11-19(3)12-14-25)27(7)18-20(4)21(5)22(27)6;;;/h11-17H,9-10H2,1-8H3;2*1H3;/q3*-1;+3
InChIKeyUKIPTXPPGWPMBO-UHFFFAOYSA-N
XLogP7.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 57.07
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'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;(3,5-diethylphenyl)-methyl-(4-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(3+)?
The IUPAC name of carbanide;(3,5-diethylphenyl)-methyl-(4-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(3+) (CID 173473304) is carbanide;(3,5-diethylphenyl)-methyl-(4-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(3+).
What is the SMILES notation for carbanide;(3,5-diethylphenyl)-methyl-(4-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(3+)?
The canonical SMILES for carbanide;(3,5-diethylphenyl)-methyl-(4-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(3+) is CCc1cc(CC)cc([Si](C)(c2ccc(C)cc2)C2(C)[C-]=C(C)C(C)=C2C)c1.[CH3-].[CH3-].[Ti+3].
What is the InChIKey of carbanide;(3,5-diethylphenyl)-methyl-(4-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(3+)?
The InChIKey is UKIPTXPPGWPMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35Si.2CH3.Ti/c1-9-23-15-24(10-2)17-26(16-23)28(8,25-13-11-19(3)12-14-25)27(7)18-20(4)21(5)22(27)6;;;/h11-17H,9-10H2,1-8H3;2*1H3;/q3*-1;+3.
What are the key properties of carbanide;(3,5-diethylphenyl)-methyl-(4-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(3+)?
carbanide;(3,5-diethylphenyl)-methyl-(4-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(3+) has a molecular weight of 465.60 g/mol, XLogP of 7.07, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(3,5-diethylphenyl)-methyl-(4-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;titanium(3+) is sourced from PubChem (CID 173473304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).