cyclopenta-1,3-diene;2-(1H-inden-1-id-2-yl)azaphosphol-1-ium;titanium(4+);dichloride

C17H15Cl2NPTi+ — CID 87863214

IUPACcyclopenta-1,3-diene;2-(1H-inden-1-id-2-yl)azaphosphol-1-ium;titanium(4+);dichloride
SMILES[C-]1=CC=CC1.[Cl-].[Cl-].[Ti+4].c1ccc2[cH-]c(-p3ccc[nH+]3)cc2c1
InChIInChI=1S/C12H9NP.C5H5.2ClH.Ti/c1-2-5-11-9-12(8-10(11)4-1)14-7-3-6-13-14;1-2-4-5-3-1;;;/h1-9H;1-3H,4H2;2*1H;/q2*-1;;;+4/p-1
InChIKeyZKLNWNNMRYTTAK-UHFFFAOYSA-M
MW383.06 g/mol
LogP-1.34
Rot. Bonds1

About cyclopenta-1,3-diene;2-(1H-inden-1-id-2-yl)azaphosphol-1-ium;titanium(4+);dichloride

cyclopenta-1,3-diene;2-(1H-inden-1-id-2-yl)azaphosphol-1-ium;titanium(4+);dichloride (PubChem CID 87863214) has the molecular formula C17H15Cl2NPTi+ and a molecular weight of 383.06 g/mol. Its IUPAC name is cyclopenta-1,3-diene;2-(1H-inden-1-id-2-yl)azaphosphol-1-ium;titanium(4+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;2-(1H-inden-1-id-2-yl)azaphosphol-1-ium;titanium(4+);dichloride
PubChem CID87863214
Molecular FormulaC17H15Cl2NPTi+
Molecular Weight383.06 g/mol
Exact Mass381.98
IUPAC Namecyclopenta-1,3-diene;2-(1H-inden-1-id-2-yl)azaphosphol-1-ium;titanium(4+);dichloride
SMILES[C-]1=CC=CC1.[Cl-].[Cl-].[Ti+4].c1ccc2[cH-]c(-p3ccc[nH+]3)cc2c1
InChIInChI=1S/C12H9NP.C5H5.2ClH.Ti/c1-2-5-11-9-12(8-10(11)4-1)14-7-3-6-13-14;1-2-4-5-3-1;;;/h1-9H;1-3H,4H2;2*1H;/q2*-1;;;+4/p-1
InChIKeyZKLNWNNMRYTTAK-UHFFFAOYSA-M
XLogP-1.34
TPSA14.14 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.06
LogP ≤ 5-1.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

cyclopenta-1,3-diene;2-(1H-inden-1-id-2-yl)azaphosphole;titanium(4+);dichloride
CID 87863211
cyclopenta-1,3-diene;2-methyl-1H-inden-1-ide;zirconium(4+);difluoride
CID 87786094
cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)indazole;zirconium(4+);dichloride
CID 87863085
cyclopenta-1,3-diene;9H-fluoren-9-ide;titanium(4+);dichloride
CID 87101437
bis(cyclopenta-1,3-diene);bis(1H-inden-1-id-2-yl(diphenyl)phosphane);bis(titanium(2+));dichloride
CID 21096297
cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)benzotriazole;titanium(4+);dichloride
CID 87863185
bis(cyclopenta-1,3-diene);naphthalene;nickel(2+)
CID 174807203
cyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)indole;zirconium(4+);dibromide
CID 87863188
cyclopenta-1,3-diene;hafnium(4+);1-(1H-inden-1-id-2-yl)benzimidazole;dichloride
CID 87863210
bis(cyclopenta-1,3-diene);bis(dicyclohexyl(1H-inden-1-id-2-yl)phosphane);bis(titanium(2+));dichloride
CID 21095907
bis(cyclopenta-1,3-diene);bis(1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane);bis(zirconium(2+));dichloride
CID 21095977
cyclopenta-1,3-diene;9-(1H-inden-1-id-2-yl)-1,2,3,4-tetrahydrocarbazole;titanium(4+);dichloride
CID 87862997

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;2-(1H-inden-1-id-2-yl)azaphosphol-1-ium;titanium(4+);dichloride?
The IUPAC name of cyclopenta-1,3-diene;2-(1H-inden-1-id-2-yl)azaphosphol-1-ium;titanium(4+);dichloride (CID 87863214) is cyclopenta-1,3-diene;2-(1H-inden-1-id-2-yl)azaphosphol-1-ium;titanium(4+);dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;2-(1H-inden-1-id-2-yl)azaphosphol-1-ium;titanium(4+);dichloride?
The canonical SMILES for cyclopenta-1,3-diene;2-(1H-inden-1-id-2-yl)azaphosphol-1-ium;titanium(4+);dichloride is [C-]1=CC=CC1.[Cl-].[Cl-].[Ti+4].c1ccc2[cH-]c(-p3ccc[nH+]3)cc2c1.
What is the InChIKey of cyclopenta-1,3-diene;2-(1H-inden-1-id-2-yl)azaphosphol-1-ium;titanium(4+);dichloride?
The InChIKey is ZKLNWNNMRYTTAK-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H9NP.C5H5.2ClH.Ti/c1-2-5-11-9-12(8-10(11)4-1)14-7-3-6-13-14;1-2-4-5-3-1;;;/h1-9H;1-3H,4H2;2*1H;/q2*-1;;;+4/p-1.
What are the key properties of cyclopenta-1,3-diene;2-(1H-inden-1-id-2-yl)azaphosphol-1-ium;titanium(4+);dichloride?
cyclopenta-1,3-diene;2-(1H-inden-1-id-2-yl)azaphosphol-1-ium;titanium(4+);dichloride has a molecular weight of 383.06 g/mol, XLogP of -1.34, 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;2-(1H-inden-1-id-2-yl)azaphosphol-1-ium;titanium(4+);dichloride is sourced from PubChem (CID 87863214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).