bis(1H-inden-1-id-2-yl(dimethyl)phosphane);titanium(2+)

C22H24P2Ti — CID 21096581

IUPACbis(1H-inden-1-id-2-yl(dimethyl)phosphane);titanium(2+)
SMILESCP(C)c1cc2ccccc2[cH-]1.CP(C)c1cc2ccccc2[cH-]1.[Ti+2]
InChIInChI=1S/2C11H12P.Ti/c2*1-12(2)11-7-9-5-3-4-6-10(9)8-11;/h2*3-8H,1-2H3;/q2*-1;+2
InChIKeyQDYCFVRLLSPSNJ-UHFFFAOYSA-N
MW398.25 g/mol
LogP5.85
Rot. Bonds2

About bis(1H-inden-1-id-2-yl(dimethyl)phosphane);titanium(2+)

bis(1H-inden-1-id-2-yl(dimethyl)phosphane);titanium(2+) (PubChem CID 21096581) has the molecular formula C22H24P2Ti and a molecular weight of 398.25 g/mol. Its IUPAC name is bis(1H-inden-1-id-2-yl(dimethyl)phosphane);titanium(2+).

Molecular Properties

Compound Namebis(1H-inden-1-id-2-yl(dimethyl)phosphane);titanium(2+)
PubChem CID21096581
Molecular FormulaC22H24P2Ti
Molecular Weight398.25 g/mol
Exact Mass398.08
IUPAC Namebis(1H-inden-1-id-2-yl(dimethyl)phosphane);titanium(2+)
SMILESCP(C)c1cc2ccccc2[cH-]1.CP(C)c1cc2ccccc2[cH-]1.[Ti+2]
InChIInChI=1S/2C11H12P.Ti/c2*1-12(2)11-7-9-5-3-4-6-10(9)8-11;/h2*3-8H,1-2H3;/q2*-1;+2
InChIKeyQDYCFVRLLSPSNJ-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.25
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 87829462
cyclopenta-1,3-diene;dichlorotitanium;1H-inden-1-id-2-yl(dimethyl)phosphane
CID 154437007
bis(1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane);bis(1H-inden-1-id-2-yl(dimethyl)phosphane);bis(zirconium(2+));dichloride
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bis(di(butan-2-yl)-(1H-inden-1-id-2-yl)phosphane);bis(1H-inden-1-id-2-yl(dimethyl)phosphane);bis(zirconium(2+));dichloride
CID 21096067
1H-inden-1-id-2-yl(dimethyl)phosphane;2-methyl-1H-inden-1-ide;penta-1,3-diene;zirconium(2+)
CID 161153561
bis(dibutyl(1H-inden-1-id-2-yl)phosphane);titanium(2+)
CID 21096598
bis(ditert-butyl(1H-inden-1-id-2-yl)phosphane);zirconium(4+);difluoride
CID 87829516
bis(ditert-butyl(1H-inden-1-id-2-yl)phosphane);titanium(4+);difluoride
CID 87829057
bis(1H-inden-1-id-2-yl-di(propan-2-yl)phosphane);titanium(4+);dichloride
CID 21096564
2-butyl-3-methylcyclopenta-1,3-diene;1H-inden-1-id-2-yl(dimethyl)phosphane;titanium(2+)
CID 87829923

Frequently Asked Questions

What is the IUPAC name of bis(1H-inden-1-id-2-yl(dimethyl)phosphane);titanium(2+)?
The IUPAC name of bis(1H-inden-1-id-2-yl(dimethyl)phosphane);titanium(2+) (CID 21096581) is bis(1H-inden-1-id-2-yl(dimethyl)phosphane);titanium(2+).
What is the SMILES notation for bis(1H-inden-1-id-2-yl(dimethyl)phosphane);titanium(2+)?
The canonical SMILES for bis(1H-inden-1-id-2-yl(dimethyl)phosphane);titanium(2+) is CP(C)c1cc2ccccc2[cH-]1.CP(C)c1cc2ccccc2[cH-]1.[Ti+2].
What is the InChIKey of bis(1H-inden-1-id-2-yl(dimethyl)phosphane);titanium(2+)?
The InChIKey is QDYCFVRLLSPSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H12P.Ti/c2*1-12(2)11-7-9-5-3-4-6-10(9)8-11;/h2*3-8H,1-2H3;/q2*-1;+2.
What are the key properties of bis(1H-inden-1-id-2-yl(dimethyl)phosphane);titanium(2+)?
bis(1H-inden-1-id-2-yl(dimethyl)phosphane);titanium(2+) has a molecular weight of 398.25 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-inden-1-id-2-yl(dimethyl)phosphane);titanium(2+) is sourced from PubChem (CID 21096581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).