carbanide;bis(9,9-dimethylfluoren-4-ol);titanium(2+)

C32H34O2Ti — CID 59317562

IUPACcarbanide;bis(9,9-dimethylfluoren-4-ol);titanium(2+)
SMILESCC1(C)c2ccccc2-c2c(O)cccc21.CC1(C)c2ccccc2-c2c(O)cccc21.[CH3-].[CH3-].[Ti+2]
InChIInChI=1S/2C15H14O.2CH3.Ti/c2*1-15(2)11-7-4-3-6-10(11)14-12(15)8-5-9-13(14)16;;;/h2*3-9,16H,1-2H3;2*1H3;/q;;2*-1;+2
InChIKeyZIPSFGQTAIBJKO-UHFFFAOYSA-N
MW498.49 g/mol
LogP8.30
Rot. Bonds

About carbanide;bis(9,9-dimethylfluoren-4-ol);titanium(2+)

carbanide;bis(9,9-dimethylfluoren-4-ol);titanium(2+) (PubChem CID 59317562) has the molecular formula C32H34O2Ti and a molecular weight of 498.49 g/mol. Its IUPAC name is carbanide;bis(9,9-dimethylfluoren-4-ol);titanium(2+).

Molecular Properties

Compound Namecarbanide;bis(9,9-dimethylfluoren-4-ol);titanium(2+)
PubChem CID59317562
Molecular FormulaC32H34O2Ti
Molecular Weight498.49 g/mol
Exact Mass498.20
IUPAC Namecarbanide;bis(9,9-dimethylfluoren-4-ol);titanium(2+)
SMILESCC1(C)c2ccccc2-c2c(O)cccc21.CC1(C)c2ccccc2-c2c(O)cccc21.[CH3-].[CH3-].[Ti+2]
InChIInChI=1S/2C15H14O.2CH3.Ti/c2*1-15(2)11-7-4-3-6-10(11)14-12(15)8-5-9-13(14)16;;;/h2*3-9,16H,1-2H3;2*1H3;/q;;2*-1;+2
InChIKeyZIPSFGQTAIBJKO-UHFFFAOYSA-N
XLogP8.30
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.49
LogP ≤ 58.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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(9,9-dimethylfluoren-4-ol);titanium(2+)?
The IUPAC name of carbanide;bis(9,9-dimethylfluoren-4-ol);titanium(2+) (CID 59317562) is carbanide;bis(9,9-dimethylfluoren-4-ol);titanium(2+).
What is the SMILES notation for carbanide;bis(9,9-dimethylfluoren-4-ol);titanium(2+)?
The canonical SMILES for carbanide;bis(9,9-dimethylfluoren-4-ol);titanium(2+) is CC1(C)c2ccccc2-c2c(O)cccc21.CC1(C)c2ccccc2-c2c(O)cccc21.[CH3-].[CH3-].[Ti+2].
What is the InChIKey of carbanide;bis(9,9-dimethylfluoren-4-ol);titanium(2+)?
The InChIKey is ZIPSFGQTAIBJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H14O.2CH3.Ti/c2*1-15(2)11-7-4-3-6-10(11)14-12(15)8-5-9-13(14)16;;;/h2*3-9,16H,1-2H3;2*1H3;/q;;2*-1;+2.
What are the key properties of carbanide;bis(9,9-dimethylfluoren-4-ol);titanium(2+)?
carbanide;bis(9,9-dimethylfluoren-4-ol);titanium(2+) has a molecular weight of 498.49 g/mol, XLogP of 8.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(9,9-dimethylfluoren-4-ol);titanium(2+) is sourced from PubChem (CID 59317562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).