carbanide;titanium(3+);trimethyl-[3-methyl-5-[2-methylpropyl-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenyl]silane

C31H47Si2Ti — CID 173473875

IUPACcarbanide;titanium(3+);trimethyl-[3-methyl-5-[2-methylpropyl-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenyl]silane
SMILESCC1=[C-]C(C)([Si](CC(C)C)(c2ccccc2)c2cc(C)cc([Si](C)(C)C)c2)C(C)=C1C.[CH3-].[CH3-].[Ti+3]
InChIInChI=1S/C29H41Si2.2CH3.Ti/c1-21(2)20-31(26-14-12-11-13-15-26,29(7)19-23(4)24(5)25(29)6)28-17-22(3)16-27(18-28)30(8,9)10;;;/h11-18,21H,20H2,1-10H3;2*1H3;/q3*-1;+3
InChIKeyOXQLVEHIPRGTCU-UHFFFAOYSA-N
MW523.76 g/mol
LogP7.52
Rot. Bonds6

About carbanide;titanium(3+);trimethyl-[3-methyl-5-[2-methylpropyl-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenyl]silane

carbanide;titanium(3+);trimethyl-[3-methyl-5-[2-methylpropyl-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenyl]silane (PubChem CID 173473875) has the molecular formula C31H47Si2Ti and a molecular weight of 523.76 g/mol. Its IUPAC name is carbanide;titanium(3+);trimethyl-[3-methyl-5-[2-methylpropyl-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenyl]silane.

Molecular Properties

Compound Namecarbanide;titanium(3+);trimethyl-[3-methyl-5-[2-methylpropyl-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenyl]silane
PubChem CID173473875
Molecular FormulaC31H47Si2Ti
Molecular Weight523.76 g/mol
Exact Mass523.27
IUPAC Namecarbanide;titanium(3+);trimethyl-[3-methyl-5-[2-methylpropyl-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenyl]silane
SMILESCC1=[C-]C(C)([Si](CC(C)C)(c2ccccc2)c2cc(C)cc([Si](C)(C)C)c2)C(C)=C1C.[CH3-].[CH3-].[Ti+3]
InChIInChI=1S/C29H41Si2.2CH3.Ti/c1-21(2)20-31(26-14-12-11-13-15-26,29(7)19-23(4)24(5)25(29)6)28-17-22(3)16-27(18-28)30(8,9)10;;;/h11-18,21H,20H2,1-10H3;2*1H3;/q3*-1;+3
InChIKeyOXQLVEHIPRGTCU-UHFFFAOYSA-N
XLogP7.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.76
LogP ≤ 57.52
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;titanium(3+);trimethyl-[3-methyl-5-[2-methylpropyl-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenyl]silane?
The IUPAC name of carbanide;titanium(3+);trimethyl-[3-methyl-5-[2-methylpropyl-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenyl]silane (CID 173473875) is carbanide;titanium(3+);trimethyl-[3-methyl-5-[2-methylpropyl-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenyl]silane.
What is the SMILES notation for carbanide;titanium(3+);trimethyl-[3-methyl-5-[2-methylpropyl-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenyl]silane?
The canonical SMILES for carbanide;titanium(3+);trimethyl-[3-methyl-5-[2-methylpropyl-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenyl]silane is CC1=[C-]C(C)([Si](CC(C)C)(c2ccccc2)c2cc(C)cc([Si](C)(C)C)c2)C(C)=C1C.[CH3-].[CH3-].[Ti+3].
What is the InChIKey of carbanide;titanium(3+);trimethyl-[3-methyl-5-[2-methylpropyl-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenyl]silane?
The InChIKey is OXQLVEHIPRGTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41Si2.2CH3.Ti/c1-21(2)20-31(26-14-12-11-13-15-26,29(7)19-23(4)24(5)25(29)6)28-17-22(3)16-27(18-28)30(8,9)10;;;/h11-18,21H,20H2,1-10H3;2*1H3;/q3*-1;+3.
What are the key properties of carbanide;titanium(3+);trimethyl-[3-methyl-5-[2-methylpropyl-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenyl]silane?
carbanide;titanium(3+);trimethyl-[3-methyl-5-[2-methylpropyl-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenyl]silane has a molecular weight of 523.76 g/mol, XLogP of 7.52, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;titanium(3+);trimethyl-[3-methyl-5-[2-methylpropyl-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phenyl]silane is sourced from PubChem (CID 173473875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).