2,3-dimethylcyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)phosphindole;titanium(4+);dichloride

C24H21Cl2PTi — CID 87863023

IUPAC2,3-dimethylcyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)phosphindole;titanium(4+);dichloride
SMILESCC1=[C-]CC=C1C.[Cl-].[Cl-].[Ti+4].c1ccc2[cH-]c(-p3ccc4ccccc43)cc2c1
InChIInChI=1S/C17H12P.C7H9.2ClH.Ti/c1-2-7-15-12-16(11-14(15)6-1)18-10-9-13-5-3-4-8-17(13)18;1-6-4-3-5-7(6)2;;;/h1-12H;4H,3H2,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyYEKWBLLROJSHEW-UHFFFAOYSA-L
MW459.18 g/mol
LogP1.78
Rot. Bonds1

About 2,3-dimethylcyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)phosphindole;titanium(4+);dichloride

2,3-dimethylcyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)phosphindole;titanium(4+);dichloride (PubChem CID 87863023) has the molecular formula C24H21Cl2PTi and a molecular weight of 459.18 g/mol. Its IUPAC name is 2,3-dimethylcyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)phosphindole;titanium(4+);dichloride.

Molecular Properties

Compound Name2,3-dimethylcyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)phosphindole;titanium(4+);dichloride
PubChem CID87863023
Molecular FormulaC24H21Cl2PTi
Molecular Weight459.18 g/mol
Exact Mass458.02
IUPAC Name2,3-dimethylcyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)phosphindole;titanium(4+);dichloride
SMILESCC1=[C-]CC=C1C.[Cl-].[Cl-].[Ti+4].c1ccc2[cH-]c(-p3ccc4ccccc43)cc2c1
InChIInChI=1S/C17H12P.C7H9.2ClH.Ti/c1-2-7-15-12-16(11-14(15)6-1)18-10-9-13-5-3-4-8-17(13)18;1-6-4-3-5-7(6)2;;;/h1-12H;4H,3H2,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyYEKWBLLROJSHEW-UHFFFAOYSA-L
XLogP1.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.18
LogP ≤ 51.78
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

1,5-dimethylcyclopenta-1,3-diene;hafnium(4+);1-(1H-inden-1-id-2-yl)phosphindole;dichloride
CID 161325964
2,3-dimethylcyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)pyrrole;2-phenylethylbenzene;zirconium(2+)
CID 87863236
hafnium(4+);bis(1-(1H-inden-1-id-2-yl)phosphole);dichloride
CID 87862693
bis(2,3-dimethylcyclopenta-1,3-diene);methanidylbenzene;zirconium(4+);chloride
CID 87759015
carbanide;bis(2,3-dimethylcyclopenta-1,3-diene);silane;zirconium(2+);dichloride
CID 173161612
carbanide;2,3-dimethylcyclopenta-1,3-diene;zirconium(4+)
CID 22676373
2-butyl-3-methylcyclopenta-1,3-diene;ditert-butyl(1H-inden-1-id-2-yl)phosphane;zirconium(4+);dichloride
CID 87828771
cyclopenta-1,3-diene;2-(1H-inden-1-id-2-yl)azaphosphol-1-ium;titanium(4+);dichloride
CID 87863214
cyclopenta-1,3-diene;2-(1H-inden-1-id-2-yl)azaphosphole;titanium(4+);dichloride
CID 87863211
2-butyl-3-methylcyclopenta-1,3-diene;1H-inden-1-id-2-yl(dimethyl)phosphane;titanium(4+);difluoride
CID 87828258
5-(1H-inden-1-id-2-yl)-6,7,8,9-tetrahydrobenzo[b]phosphindole;zirconium(3+);dichloride
CID 87935466
hafnium(4+);bis(4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]phosphindole);dichloride
CID 87862825

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylcyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)phosphindole;titanium(4+);dichloride?
The IUPAC name of 2,3-dimethylcyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)phosphindole;titanium(4+);dichloride (CID 87863023) is 2,3-dimethylcyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)phosphindole;titanium(4+);dichloride.
What is the SMILES notation for 2,3-dimethylcyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)phosphindole;titanium(4+);dichloride?
The canonical SMILES for 2,3-dimethylcyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)phosphindole;titanium(4+);dichloride is CC1=[C-]CC=C1C.[Cl-].[Cl-].[Ti+4].c1ccc2[cH-]c(-p3ccc4ccccc43)cc2c1.
What is the InChIKey of 2,3-dimethylcyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)phosphindole;titanium(4+);dichloride?
The InChIKey is YEKWBLLROJSHEW-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H12P.C7H9.2ClH.Ti/c1-2-7-15-12-16(11-14(15)6-1)18-10-9-13-5-3-4-8-17(13)18;1-6-4-3-5-7(6)2;;;/h1-12H;4H,3H2,1-2H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of 2,3-dimethylcyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)phosphindole;titanium(4+);dichloride?
2,3-dimethylcyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)phosphindole;titanium(4+);dichloride has a molecular weight of 459.18 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylcyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)phosphindole;titanium(4+);dichloride is sourced from PubChem (CID 87863023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).