cyclopenta-1,3-diene;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;titanium(2+)

C21H19PTi — CID 87830483

IUPACcyclopenta-1,3-diene;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;titanium(2+)
SMILESCc1[cH-]c2ccccc2c1Pc1ccccc1.[C-]1=CC=CC1.[Ti+2]
InChIInChI=1S/C16H14P.C5H5.Ti/c1-12-11-13-7-5-6-10-15(13)16(12)17-14-8-3-2-4-9-14;1-2-4-5-3-1;/h2-11,17H,1H3;1-3H,4H2;/q2*-1;+2
InChIKeyZCFXSHOHDBYENH-UHFFFAOYSA-N
MW350.22 g/mol
LogP4.80
Rot. Bonds2

About cyclopenta-1,3-diene;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;titanium(2+)

cyclopenta-1,3-diene;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;titanium(2+) (PubChem CID 87830483) has the molecular formula C21H19PTi and a molecular weight of 350.22 g/mol. Its IUPAC name is cyclopenta-1,3-diene;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;titanium(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;titanium(2+)
PubChem CID87830483
Molecular FormulaC21H19PTi
Molecular Weight350.22 g/mol
Exact Mass350.07
IUPAC Namecyclopenta-1,3-diene;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;titanium(2+)
SMILESCc1[cH-]c2ccccc2c1Pc1ccccc1.[C-]1=CC=CC1.[Ti+2]
InChIInChI=1S/C16H14P.C5H5.Ti/c1-12-11-13-7-5-6-10-15(13)16(12)17-14-8-3-2-4-9-14;1-2-4-5-3-1;/h2-11,17H,1H3;1-3H,4H2;/q2*-1;+2
InChIKeyZCFXSHOHDBYENH-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 54.80
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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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;titanium(2+)?
The IUPAC name of cyclopenta-1,3-diene;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;titanium(2+) (CID 87830483) is cyclopenta-1,3-diene;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;titanium(2+).
What is the SMILES notation for cyclopenta-1,3-diene;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;titanium(2+)?
The canonical SMILES for cyclopenta-1,3-diene;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;titanium(2+) is Cc1[cH-]c2ccccc2c1Pc1ccccc1.[C-]1=CC=CC1.[Ti+2].
What is the InChIKey of cyclopenta-1,3-diene;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;titanium(2+)?
The InChIKey is ZCFXSHOHDBYENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14P.C5H5.Ti/c1-12-11-13-7-5-6-10-15(13)16(12)17-14-8-3-2-4-9-14;1-2-4-5-3-1;/h2-11,17H,1H3;1-3H,4H2;/q2*-1;+2.
What are the key properties of cyclopenta-1,3-diene;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;titanium(2+)?
cyclopenta-1,3-diene;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;titanium(2+) has a molecular weight of 350.22 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;titanium(2+) is sourced from PubChem (CID 87830483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).