carbanide;bis(1H-inden-1-ide);titanium(4+)

C20H20Ti — CID 15909369

IUPACcarbanide;bis(1H-inden-1-ide);titanium(4+)
SMILES[CH3-].[CH3-].[Ti+4].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.2CH3.Ti/c2*1-2-5-9-7-3-6-8(9)4-1;;;/h2*1-7H;2*1H3;/q4*-1;+4
InChIKeyBRMKBDSTHYEGLO-UHFFFAOYSA-N
MW308.25 g/mol
LogP6.02
Rot. Bonds

About carbanide;bis(1H-inden-1-ide);titanium(4+)

carbanide;bis(1H-inden-1-ide);titanium(4+) (PubChem CID 15909369) has the molecular formula C20H20Ti and a molecular weight of 308.25 g/mol. Its IUPAC name is carbanide;bis(1H-inden-1-ide);titanium(4+).

Molecular Properties

Compound Namecarbanide;bis(1H-inden-1-ide);titanium(4+)
PubChem CID15909369
Molecular FormulaC20H20Ti
Molecular Weight308.25 g/mol
Exact Mass308.10
IUPAC Namecarbanide;bis(1H-inden-1-ide);titanium(4+)
SMILES[CH3-].[CH3-].[Ti+4].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.2CH3.Ti/c2*1-2-5-9-7-3-6-8(9)4-1;;;/h2*1-7H;2*1H3;/q4*-1;+4
InChIKeyBRMKBDSTHYEGLO-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;bis(1H-inden-1-ide);titanium(4+)?
The IUPAC name of carbanide;bis(1H-inden-1-ide);titanium(4+) (CID 15909369) is carbanide;bis(1H-inden-1-ide);titanium(4+).
What is the SMILES notation for carbanide;bis(1H-inden-1-ide);titanium(4+)?
The canonical SMILES for carbanide;bis(1H-inden-1-ide);titanium(4+) is [CH3-].[CH3-].[Ti+4].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of carbanide;bis(1H-inden-1-ide);titanium(4+)?
The InChIKey is BRMKBDSTHYEGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7.2CH3.Ti/c2*1-2-5-9-7-3-6-8(9)4-1;;;/h2*1-7H;2*1H3;/q4*-1;+4.
What are the key properties of carbanide;bis(1H-inden-1-ide);titanium(4+)?
carbanide;bis(1H-inden-1-ide);titanium(4+) has a molecular weight of 308.25 g/mol, XLogP of 6.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(1H-inden-1-ide);titanium(4+) is sourced from PubChem (CID 15909369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).