1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-pentan-2-ylcyclopenta-1,3-diene;titanium(4+);difluoride

C26H29F2PTi — CID 87829362

IUPAC1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-pentan-2-ylcyclopenta-1,3-diene;titanium(4+);difluoride
SMILESCCCC(C)C1=[C-]CC=C1.Cc1ccccc1Pc1cc2ccccc2[cH-]1.[F-].[F-].[Ti+4]
InChIInChI=1S/C16H14P.C10H15.2FH.Ti/c1-12-6-2-5-9-16(12)17-15-10-13-7-3-4-8-14(13)11-15;1-3-6-9(2)10-7-4-5-8-10;;;/h2-11,17H,1H3;4,7,9H,3,5-6H2,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyUHTIEBUTTUXKFB-UHFFFAOYSA-L
MW458.36 g/mol
LogP0.61
Rot. Bonds5

About 1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-pentan-2-ylcyclopenta-1,3-diene;titanium(4+);difluoride

1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-pentan-2-ylcyclopenta-1,3-diene;titanium(4+);difluoride (PubChem CID 87829362) has the molecular formula C26H29F2PTi and a molecular weight of 458.36 g/mol. Its IUPAC name is 1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-pentan-2-ylcyclopenta-1,3-diene;titanium(4+);difluoride.

Molecular Properties

Compound Name1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-pentan-2-ylcyclopenta-1,3-diene;titanium(4+);difluoride
PubChem CID87829362
Molecular FormulaC26H29F2PTi
Molecular Weight458.36 g/mol
Exact Mass458.15
IUPAC Name1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-pentan-2-ylcyclopenta-1,3-diene;titanium(4+);difluoride
SMILESCCCC(C)C1=[C-]CC=C1.Cc1ccccc1Pc1cc2ccccc2[cH-]1.[F-].[F-].[Ti+4]
InChIInChI=1S/C16H14P.C10H15.2FH.Ti/c1-12-6-2-5-9-16(12)17-15-10-13-7-3-4-8-14(13)11-15;1-3-6-9(2)10-7-4-5-8-10;;;/h2-11,17H,1H3;4,7,9H,3,5-6H2,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyUHTIEBUTTUXKFB-UHFFFAOYSA-L
XLogP0.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.36
LogP ≤ 50.61
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

1H-inden-1-id-2-yl(diphenyl)phosphane;2-pentan-2-ylcyclopenta-1,3-diene;zirconium(4+);difluoride
CID 87829441
hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane
CID 87865343
bis(di(butan-2-yl)-(1H-inden-1-id-2-yl)phosphane);bis(2-pentan-2-ylcyclopenta-1,3-diene);bis(zirconium(2+));dichloride
CID 21096379
ditert-butyl(1H-inden-1-id-2-yl)phosphane;2-pentan-2-ylcyclopenta-1,3-diene;zirconium(4+);dichloride
CID 87828770
dihexyl(1H-inden-1-id-2-yl)phosphane;2-pentan-2-ylcyclopenta-1,3-diene;titanium(4+);dichloride
CID 87828098
9H-fluoren-9-ide;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;zirconium(2+)
CID 87829494
9H-fluoren-9-ide;hafnium(4+);1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;difluoride
CID 87830235
bis(1H-inden-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));difluoride
CID 21096471
bis(1,9-dihydrofluoren-1-ide);bis(1H-inden-1-id-2-yl-(2-methylphenyl)phosphane);bis(titanium(2+));dichloride
CID 21096461
5-butyl-1-methylcyclopenta-1,3-diene;hafnium(4+);1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;dichloride
CID 159371146
4,7-dimethyl-1H-inden-1-ide;hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane
CID 87830434
hafnium;1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-methyl-1H-inden-1-ide;penta-1,3-diene
CID 161130740

Frequently Asked Questions

What is the IUPAC name of 1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-pentan-2-ylcyclopenta-1,3-diene;titanium(4+);difluoride?
The IUPAC name of 1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-pentan-2-ylcyclopenta-1,3-diene;titanium(4+);difluoride (CID 87829362) is 1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-pentan-2-ylcyclopenta-1,3-diene;titanium(4+);difluoride.
What is the SMILES notation for 1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-pentan-2-ylcyclopenta-1,3-diene;titanium(4+);difluoride?
The canonical SMILES for 1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-pentan-2-ylcyclopenta-1,3-diene;titanium(4+);difluoride is CCCC(C)C1=[C-]CC=C1.Cc1ccccc1Pc1cc2ccccc2[cH-]1.[F-].[F-].[Ti+4].
What is the InChIKey of 1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-pentan-2-ylcyclopenta-1,3-diene;titanium(4+);difluoride?
The InChIKey is UHTIEBUTTUXKFB-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H14P.C10H15.2FH.Ti/c1-12-6-2-5-9-16(12)17-15-10-13-7-3-4-8-14(13)11-15;1-3-6-9(2)10-7-4-5-8-10;;;/h2-11,17H,1H3;4,7,9H,3,5-6H2,1-2H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of 1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-pentan-2-ylcyclopenta-1,3-diene;titanium(4+);difluoride?
1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-pentan-2-ylcyclopenta-1,3-diene;titanium(4+);difluoride has a molecular weight of 458.36 g/mol, XLogP of 0.61, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-inden-1-id-2-yl-(2-methylphenyl)phosphane;2-pentan-2-ylcyclopenta-1,3-diene;titanium(4+);difluoride is sourced from PubChem (CID 87829362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).