carbanide;bis((4-methylcyclopenta-1,4-dien-1-yl)benzene);silylidenetitanium;dihydrochloride

C26H32Cl2SiTi-4 — CID 173299806

IUPACcarbanide;bis((4-methylcyclopenta-1,4-dien-1-yl)benzene);silylidenetitanium;dihydrochloride
SMILESCC1=CC(c2ccccc2)=[C-]C1.CC1=CC(c2ccccc2)=[C-]C1.Cl.Cl.[CH3-].[CH3-].[SiH2]=[Ti]
InChIInChI=1S/2C12H11.2CH3.2ClH.H2Si.Ti/c2*1-10-7-8-12(9-10)11-5-3-2-4-6-11;;;;;;/h2*2-6,9H,7H2,1H3;2*1H3;2*1H;1H2;/q4*-1;;;;
InChIKeyKUCDPRNSFOAYRF-UHFFFAOYSA-N
MW491.40 g/mol
LogP7.27
Rot. Bonds2

About carbanide;bis((4-methylcyclopenta-1,4-dien-1-yl)benzene);silylidenetitanium;dihydrochloride

carbanide;bis((4-methylcyclopenta-1,4-dien-1-yl)benzene);silylidenetitanium;dihydrochloride (PubChem CID 173299806) has the molecular formula C26H32Cl2SiTi-4 and a molecular weight of 491.40 g/mol. Its IUPAC name is carbanide;bis((4-methylcyclopenta-1,4-dien-1-yl)benzene);silylidenetitanium;dihydrochloride.

Molecular Properties

Compound Namecarbanide;bis((4-methylcyclopenta-1,4-dien-1-yl)benzene);silylidenetitanium;dihydrochloride
PubChem CID173299806
Molecular FormulaC26H32Cl2SiTi-4
Molecular Weight491.40 g/mol
Exact Mass490.12
IUPAC Namecarbanide;bis((4-methylcyclopenta-1,4-dien-1-yl)benzene);silylidenetitanium;dihydrochloride
SMILESCC1=CC(c2ccccc2)=[C-]C1.CC1=CC(c2ccccc2)=[C-]C1.Cl.Cl.[CH3-].[CH3-].[SiH2]=[Ti]
InChIInChI=1S/2C12H11.2CH3.2ClH.H2Si.Ti/c2*1-10-7-8-12(9-10)11-5-3-2-4-6-11;;;;;;/h2*2-6,9H,7H2,1H3;2*1H3;2*1H;1H2;/q4*-1;;;;
InChIKeyKUCDPRNSFOAYRF-UHFFFAOYSA-N
XLogP7.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.40
LogP ≤ 57.27
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;bis((4-methylcyclopenta-1,4-dien-1-yl)benzene);silylidenetitanium;dihydrochloride?
The IUPAC name of carbanide;bis((4-methylcyclopenta-1,4-dien-1-yl)benzene);silylidenetitanium;dihydrochloride (CID 173299806) is carbanide;bis((4-methylcyclopenta-1,4-dien-1-yl)benzene);silylidenetitanium;dihydrochloride.
What is the SMILES notation for carbanide;bis((4-methylcyclopenta-1,4-dien-1-yl)benzene);silylidenetitanium;dihydrochloride?
The canonical SMILES for carbanide;bis((4-methylcyclopenta-1,4-dien-1-yl)benzene);silylidenetitanium;dihydrochloride is CC1=CC(c2ccccc2)=[C-]C1.CC1=CC(c2ccccc2)=[C-]C1.Cl.Cl.[CH3-].[CH3-].[SiH2]=[Ti].
What is the InChIKey of carbanide;bis((4-methylcyclopenta-1,4-dien-1-yl)benzene);silylidenetitanium;dihydrochloride?
The InChIKey is KUCDPRNSFOAYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H11.2CH3.2ClH.H2Si.Ti/c2*1-10-7-8-12(9-10)11-5-3-2-4-6-11;;;;;;/h2*2-6,9H,7H2,1H3;2*1H3;2*1H;1H2;/q4*-1;;;;.
What are the key properties of carbanide;bis((4-methylcyclopenta-1,4-dien-1-yl)benzene);silylidenetitanium;dihydrochloride?
carbanide;bis((4-methylcyclopenta-1,4-dien-1-yl)benzene);silylidenetitanium;dihydrochloride has a molecular weight of 491.40 g/mol, XLogP of 7.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis((4-methylcyclopenta-1,4-dien-1-yl)benzene);silylidenetitanium;dihydrochloride is sourced from PubChem (CID 173299806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).