cyclopenta-1,3-diene;dichlorotitanium;1H-inden-1-id-2-yl(dimethyl)phosphane

C16H17Cl2PTi-2 — CID 154437007

IUPACcyclopenta-1,3-diene;dichlorotitanium;1H-inden-1-id-2-yl(dimethyl)phosphane
SMILESCP(C)c1cc2ccccc2[cH-]1.Cl[Ti]Cl.c1cc[cH-]c1
InChIInChI=1S/C11H12P.C5H5.2ClH.Ti/c1-12(2)11-7-9-5-3-4-6-10(9)8-11;1-2-4-5-3-1;;;/h3-8H,1-2H3;1-5H;2*1H;/q2*-1;;;+2/p-2
InChIKeyYEMVJVMABSNMME-UHFFFAOYSA-L
MW359.06 g/mol
LogP5.71
Rot. Bonds1

About cyclopenta-1,3-diene;dichlorotitanium;1H-inden-1-id-2-yl(dimethyl)phosphane

cyclopenta-1,3-diene;dichlorotitanium;1H-inden-1-id-2-yl(dimethyl)phosphane (PubChem CID 154437007) has the molecular formula C16H17Cl2PTi-2 and a molecular weight of 359.06 g/mol. Its IUPAC name is cyclopenta-1,3-diene;dichlorotitanium;1H-inden-1-id-2-yl(dimethyl)phosphane.

Molecular Properties

Compound Namecyclopenta-1,3-diene;dichlorotitanium;1H-inden-1-id-2-yl(dimethyl)phosphane
PubChem CID154437007
Molecular FormulaC16H17Cl2PTi-2
Molecular Weight359.06 g/mol
Exact Mass357.99
IUPAC Namecyclopenta-1,3-diene;dichlorotitanium;1H-inden-1-id-2-yl(dimethyl)phosphane
SMILESCP(C)c1cc2ccccc2[cH-]1.Cl[Ti]Cl.c1cc[cH-]c1
InChIInChI=1S/C11H12P.C5H5.2ClH.Ti/c1-12(2)11-7-9-5-3-4-6-10(9)8-11;1-2-4-5-3-1;;;/h3-8H,1-2H3;1-5H;2*1H;/q2*-1;;;+2/p-2
InChIKeyYEMVJVMABSNMME-UHFFFAOYSA-L
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.06
LogP ≤ 55.71
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

hafnium;bis(1H-inden-1-id-2-yl(dimethyl)phosphane)
CID 87828607
bis(1H-inden-1-id-2-yl(dimethyl)phosphane);titanium(2+)
CID 21096581
9H-fluoren-9-ide;1H-inden-1-id-2-yl(dimethyl)phosphane;zirconium(2+)
CID 87829462
cyclopenta-1,3-diene;dichlorotitanium;1-(1H-inden-1-id-2-yl)-2-methylindole
CID 154434301
1H-inden-1-id-2-yl(dimethyl)phosphane;2-methyl-1H-inden-1-ide;2-phenylethylbenzene;zirconium(2+)
CID 87828125
bis(1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane);bis(1H-inden-1-id-2-yl(dimethyl)phosphane);bis(zirconium(2+));dichloride
CID 21096050
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
cyclopenta-1,3-diene;dichlorotitanium;1-(1H-inden-1-id-2-yl)tetrazole
CID 154434312
1H-inden-1-id-2-yl(dimethyl)phosphane;2-methyl-1H-inden-1-ide;penta-1,3-diene;zirconium(2+)
CID 161153561
cyclopenta-1,3-diene;dichlorozirconium(2+);2-propyl-1H-inden-1-ide
CID 154426269
bis(ditert-butyl(1H-inden-1-id-2-yl)phosphane);titanium(4+);difluoride
CID 87829057
bis(ditert-butyl(1H-inden-1-id-2-yl)phosphane);zirconium(4+);difluoride
CID 87829516

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;dichlorotitanium;1H-inden-1-id-2-yl(dimethyl)phosphane?
The IUPAC name of cyclopenta-1,3-diene;dichlorotitanium;1H-inden-1-id-2-yl(dimethyl)phosphane (CID 154437007) is cyclopenta-1,3-diene;dichlorotitanium;1H-inden-1-id-2-yl(dimethyl)phosphane.
What is the SMILES notation for cyclopenta-1,3-diene;dichlorotitanium;1H-inden-1-id-2-yl(dimethyl)phosphane?
The canonical SMILES for cyclopenta-1,3-diene;dichlorotitanium;1H-inden-1-id-2-yl(dimethyl)phosphane is CP(C)c1cc2ccccc2[cH-]1.Cl[Ti]Cl.c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;dichlorotitanium;1H-inden-1-id-2-yl(dimethyl)phosphane?
The InChIKey is YEMVJVMABSNMME-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H12P.C5H5.2ClH.Ti/c1-12(2)11-7-9-5-3-4-6-10(9)8-11;1-2-4-5-3-1;;;/h3-8H,1-2H3;1-5H;2*1H;/q2*-1;;;+2/p-2.
What are the key properties of cyclopenta-1,3-diene;dichlorotitanium;1H-inden-1-id-2-yl(dimethyl)phosphane?
cyclopenta-1,3-diene;dichlorotitanium;1H-inden-1-id-2-yl(dimethyl)phosphane has a molecular weight of 359.06 g/mol, XLogP of 5.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;dichlorotitanium;1H-inden-1-id-2-yl(dimethyl)phosphane is sourced from PubChem (CID 154437007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).