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

C56H80Si2Ti2 — CID 173473534

IUPACcarbanide;(3,5-dimethylphenyl)-methyl-(2-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;(3,5-dimethylphenyl)-methyl-(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;bis(titanium(4+))
SMILESCC1=[C-]C(C)([Si](C)(c2cc(C)cc(C)c2)c2ccccc2C)C(C)=C1C.CC1=[C-]C(C)([Si](C)(c2cccc(C)c2)c2cc(C)cc(C)c2)C(C)=C1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti+4].[Ti+4]
InChIInChI=1S/2C25H31Si.6CH3.2Ti/c1-17-10-9-11-23(13-17)26(8,24-14-18(2)12-19(3)15-24)25(7)16-20(4)21(5)22(25)6;1-17-13-18(2)15-23(14-17)26(8,24-12-10-9-11-19(24)3)25(7)16-20(4)21(5)22(25)6;;;;;;;;/h2*9-15H,1-8H3;6*1H3;;/q8*-1;2*+4
InChIKeyTUXFGCVZYQWVTQ-UHFFFAOYSA-N
MW905.16 g/mol
LogP14.03
Rot. Bonds6

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

carbanide;(3,5-dimethylphenyl)-methyl-(2-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;(3,5-dimethylphenyl)-methyl-(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;bis(titanium(4+)) (PubChem CID 173473534) has the molecular formula C56H80Si2Ti2 and a molecular weight of 905.16 g/mol. Its IUPAC name is carbanide;(3,5-dimethylphenyl)-methyl-(2-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;(3,5-dimethylphenyl)-methyl-(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;bis(titanium(4+)).

Molecular Properties

Compound Namecarbanide;(3,5-dimethylphenyl)-methyl-(2-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;(3,5-dimethylphenyl)-methyl-(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;bis(titanium(4+))
PubChem CID173473534
Molecular FormulaC56H80Si2Ti2
Molecular Weight905.16 g/mol
Exact Mass904.48
IUPAC Namecarbanide;(3,5-dimethylphenyl)-methyl-(2-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;(3,5-dimethylphenyl)-methyl-(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;bis(titanium(4+))
SMILESCC1=[C-]C(C)([Si](C)(c2cc(C)cc(C)c2)c2ccccc2C)C(C)=C1C.CC1=[C-]C(C)([Si](C)(c2cccc(C)c2)c2cc(C)cc(C)c2)C(C)=C1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti+4].[Ti+4]
InChIInChI=1S/2C25H31Si.6CH3.2Ti/c1-17-10-9-11-23(13-17)26(8,24-14-18(2)12-19(3)15-24)25(7)16-20(4)21(5)22(25)6;1-17-13-18(2)15-23(14-17)26(8,24-12-10-9-11-19(24)3)25(7)16-20(4)21(5)22(25)6;;;;;;;;/h2*9-15H,1-8H3;6*1H3;;/q8*-1;2*+4
InChIKeyTUXFGCVZYQWVTQ-UHFFFAOYSA-N
XLogP14.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.16
LogP ≤ 514.03
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

Frequently Asked Questions

What is the IUPAC name of carbanide;(3,5-dimethylphenyl)-methyl-(2-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;(3,5-dimethylphenyl)-methyl-(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;bis(titanium(4+))?
The IUPAC name of carbanide;(3,5-dimethylphenyl)-methyl-(2-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;(3,5-dimethylphenyl)-methyl-(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;bis(titanium(4+)) (CID 173473534) is carbanide;(3,5-dimethylphenyl)-methyl-(2-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;(3,5-dimethylphenyl)-methyl-(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;bis(titanium(4+)).
What is the SMILES notation for carbanide;(3,5-dimethylphenyl)-methyl-(2-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;(3,5-dimethylphenyl)-methyl-(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;bis(titanium(4+))?
The canonical SMILES for carbanide;(3,5-dimethylphenyl)-methyl-(2-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;(3,5-dimethylphenyl)-methyl-(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;bis(titanium(4+)) is CC1=[C-]C(C)([Si](C)(c2cc(C)cc(C)c2)c2ccccc2C)C(C)=C1C.CC1=[C-]C(C)([Si](C)(c2cccc(C)c2)c2cc(C)cc(C)c2)C(C)=C1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti+4].[Ti+4].
What is the InChIKey of carbanide;(3,5-dimethylphenyl)-methyl-(2-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;(3,5-dimethylphenyl)-methyl-(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;bis(titanium(4+))?
The InChIKey is TUXFGCVZYQWVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H31Si.6CH3.2Ti/c1-17-10-9-11-23(13-17)26(8,24-14-18(2)12-19(3)15-24)25(7)16-20(4)21(5)22(25)6;1-17-13-18(2)15-23(14-17)26(8,24-12-10-9-11-19(24)3)25(7)16-20(4)21(5)22(25)6;;;;;;;;/h2*9-15H,1-8H3;6*1H3;;/q8*-1;2*+4.
What are the key properties of carbanide;(3,5-dimethylphenyl)-methyl-(2-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;(3,5-dimethylphenyl)-methyl-(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;bis(titanium(4+))?
carbanide;(3,5-dimethylphenyl)-methyl-(2-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;(3,5-dimethylphenyl)-methyl-(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;bis(titanium(4+)) has a molecular weight of 905.16 g/mol, XLogP of 14.03, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(3,5-dimethylphenyl)-methyl-(2-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;(3,5-dimethylphenyl)-methyl-(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;bis(titanium(4+)) is sourced from PubChem (CID 173473534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).