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

C52H88Si2Ti2 — CID 173474707

IUPACcarbanide;(3,5-diethylphenyl)-methyl-propan-2-yl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;(3,5-diethylphenyl)-methyl-propyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;bis(titanium(4+))
SMILESCCC[Si](C)(c1cc(CC)cc(CC)c1)C1(C)[C-]=C(C)C(C)=C1C.CCc1cc(CC)cc([Si](C)(C(C)C)C2(C)[C-]=C(C)C(C)=C2C)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti+4].[Ti+4]
InChIInChI=1S/2C23H35Si.6CH3.2Ti/c1-10-20-12-21(11-2)14-22(13-20)24(9,16(3)4)23(8)15-17(5)18(6)19(23)7;1-9-12-24(8,23(7)16-17(4)18(5)19(23)6)22-14-20(10-2)13-21(11-3)15-22;;;;;;;;/h12-14,16H,10-11H2,1-9H3;13-15H,9-12H2,1-8H3;6*1H3;;/q8*-1;2*+4
InChIKeyYJCPCMIUJNFPDO-UHFFFAOYSA-N
MW865.18 g/mol
LogP15.43
Rot. Bonds11

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

carbanide;(3,5-diethylphenyl)-methyl-propan-2-yl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;(3,5-diethylphenyl)-methyl-propyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;bis(titanium(4+)) (PubChem CID 173474707) has the molecular formula C52H88Si2Ti2 and a molecular weight of 865.18 g/mol. Its IUPAC name is carbanide;(3,5-diethylphenyl)-methyl-propan-2-yl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;(3,5-diethylphenyl)-methyl-propyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;bis(titanium(4+)).

Molecular Properties

Compound Namecarbanide;(3,5-diethylphenyl)-methyl-propan-2-yl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;(3,5-diethylphenyl)-methyl-propyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;bis(titanium(4+))
PubChem CID173474707
Molecular FormulaC52H88Si2Ti2
Molecular Weight865.18 g/mol
Exact Mass864.54
IUPAC Namecarbanide;(3,5-diethylphenyl)-methyl-propan-2-yl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;(3,5-diethylphenyl)-methyl-propyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;bis(titanium(4+))
SMILESCCC[Si](C)(c1cc(CC)cc(CC)c1)C1(C)[C-]=C(C)C(C)=C1C.CCc1cc(CC)cc([Si](C)(C(C)C)C2(C)[C-]=C(C)C(C)=C2C)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti+4].[Ti+4]
InChIInChI=1S/2C23H35Si.6CH3.2Ti/c1-10-20-12-21(11-2)14-22(13-20)24(9,16(3)4)23(8)15-17(5)18(6)19(23)7;1-9-12-24(8,23(7)16-17(4)18(5)19(23)6)22-14-20(10-2)13-21(11-3)15-22;;;;;;;;/h12-14,16H,10-11H2,1-9H3;13-15H,9-12H2,1-8H3;6*1H3;;/q8*-1;2*+4
InChIKeyYJCPCMIUJNFPDO-UHFFFAOYSA-N
XLogP15.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.18
LogP ≤ 515.43
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-propan-2-yl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;(3,5-diethylphenyl)-methyl-propyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;bis(titanium(4+))?
The IUPAC name of carbanide;(3,5-diethylphenyl)-methyl-propan-2-yl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;(3,5-diethylphenyl)-methyl-propyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;bis(titanium(4+)) (CID 173474707) is carbanide;(3,5-diethylphenyl)-methyl-propan-2-yl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;(3,5-diethylphenyl)-methyl-propyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;bis(titanium(4+)).
What is the SMILES notation for carbanide;(3,5-diethylphenyl)-methyl-propan-2-yl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;(3,5-diethylphenyl)-methyl-propyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;bis(titanium(4+))?
The canonical SMILES for carbanide;(3,5-diethylphenyl)-methyl-propan-2-yl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;(3,5-diethylphenyl)-methyl-propyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;bis(titanium(4+)) is CCC[Si](C)(c1cc(CC)cc(CC)c1)C1(C)[C-]=C(C)C(C)=C1C.CCc1cc(CC)cc([Si](C)(C(C)C)C2(C)[C-]=C(C)C(C)=C2C)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti+4].[Ti+4].
What is the InChIKey of carbanide;(3,5-diethylphenyl)-methyl-propan-2-yl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;(3,5-diethylphenyl)-methyl-propyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;bis(titanium(4+))?
The InChIKey is YJCPCMIUJNFPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H35Si.6CH3.2Ti/c1-10-20-12-21(11-2)14-22(13-20)24(9,16(3)4)23(8)15-17(5)18(6)19(23)7;1-9-12-24(8,23(7)16-17(4)18(5)19(23)6)22-14-20(10-2)13-21(11-3)15-22;;;;;;;;/h12-14,16H,10-11H2,1-9H3;13-15H,9-12H2,1-8H3;6*1H3;;/q8*-1;2*+4.
What are the key properties of carbanide;(3,5-diethylphenyl)-methyl-propan-2-yl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;(3,5-diethylphenyl)-methyl-propyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;bis(titanium(4+))?
carbanide;(3,5-diethylphenyl)-methyl-propan-2-yl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;(3,5-diethylphenyl)-methyl-propyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;bis(titanium(4+)) has a molecular weight of 865.18 g/mol, XLogP of 15.43, 11 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-propan-2-yl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;(3,5-diethylphenyl)-methyl-propyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;bis(titanium(4+)) is sourced from PubChem (CID 173474707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).