cyclopenta-1,3-diene;(2,3,4,5-tetraethylcyclopenta-1,3-dien-1-yl)benzene;titanium(4+);dichloride

C24H30Cl2Ti — CID 160933646

IUPACcyclopenta-1,3-diene;(2,3,4,5-tetraethylcyclopenta-1,3-dien-1-yl)benzene;titanium(4+);dichloride
SMILESCCc1c(CC)c(-c2ccccc2)[c-](CC)c1CC.[Cl-].[Cl-].[Ti+4].c1cc[cH-]c1
InChIInChI=1S/C19H25.C5H5.2ClH.Ti/c1-5-15-16(6-2)18(8-4)19(17(15)7-3)14-12-10-9-11-13-14;1-2-4-5-3-1;;;/h9-13H,5-8H2,1-4H3;1-5H;2*1H;/q2*-1;;;+4/p-2
InChIKeyFDYZPLANYMHONR-UHFFFAOYSA-L
MW437.28 g/mol
LogP0.73
Rot. Bonds5

About cyclopenta-1,3-diene;(2,3,4,5-tetraethylcyclopenta-1,3-dien-1-yl)benzene;titanium(4+);dichloride

cyclopenta-1,3-diene;(2,3,4,5-tetraethylcyclopenta-1,3-dien-1-yl)benzene;titanium(4+);dichloride (PubChem CID 160933646) has the molecular formula C24H30Cl2Ti and a molecular weight of 437.28 g/mol. Its IUPAC name is cyclopenta-1,3-diene;(2,3,4,5-tetraethylcyclopenta-1,3-dien-1-yl)benzene;titanium(4+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;(2,3,4,5-tetraethylcyclopenta-1,3-dien-1-yl)benzene;titanium(4+);dichloride
PubChem CID160933646
Molecular FormulaC24H30Cl2Ti
Molecular Weight437.28 g/mol
Exact Mass436.12
IUPAC Namecyclopenta-1,3-diene;(2,3,4,5-tetraethylcyclopenta-1,3-dien-1-yl)benzene;titanium(4+);dichloride
SMILESCCc1c(CC)c(-c2ccccc2)[c-](CC)c1CC.[Cl-].[Cl-].[Ti+4].c1cc[cH-]c1
InChIInChI=1S/C19H25.C5H5.2ClH.Ti/c1-5-15-16(6-2)18(8-4)19(17(15)7-3)14-12-10-9-11-13-14;1-2-4-5-3-1;;;/h9-13H,5-8H2,1-4H3;1-5H;2*1H;/q2*-1;;;+4/p-2
InChIKeyFDYZPLANYMHONR-UHFFFAOYSA-L
XLogP0.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.28
LogP ≤ 50.73
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

iridium(3+);1,2,3,4,5-pentaethylcyclopenta-1,3-diene
CID 175918734
1,2-diethyl-3,4,5,6-tetraphenylbenzene
CID 58012801
cyclopenta-1,3-diene;iron(2+);1,2,4,5-tetraethylcyclopenta-1,3-diene
CID 162263056
CID 161097193
CID 161097193
1-ethyl-2,3,4,5-tetramethyl-6-phenylbenzene
CID 140985823
2-ethyl-3,4,5-trimethyl-6-phenylbenzenethiol
CID 140644848
bis(diethylazanide);molybdenum(4+);bis((2,3,4,5-tetraphenylcyclopenta-1,4-dien-1-yl)benzene)
CID 155669314
2,3-diethyl-1,4-diphenylbenzene
CID 59383229
benzhydrylidenezirconium(2+);cyclopenta-1,3-diene;5-ethylcyclopenta-1,3-diene;dichloride
CID 161016929
cyclopenta-1,3-diene;neodymium(3+);dichloride
CID 137481493
cyclopenta-1,3-diene;(2,3-diphenylcyclopenta-2,4-dien-1-yl)phosphane;iron(2+)
CID 140891390
5-ethyl-4-hydroxy-1,3,6-triphenylpyridin-2-one
CID 54686582

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;(2,3,4,5-tetraethylcyclopenta-1,3-dien-1-yl)benzene;titanium(4+);dichloride?
The IUPAC name of cyclopenta-1,3-diene;(2,3,4,5-tetraethylcyclopenta-1,3-dien-1-yl)benzene;titanium(4+);dichloride (CID 160933646) is cyclopenta-1,3-diene;(2,3,4,5-tetraethylcyclopenta-1,3-dien-1-yl)benzene;titanium(4+);dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;(2,3,4,5-tetraethylcyclopenta-1,3-dien-1-yl)benzene;titanium(4+);dichloride?
The canonical SMILES for cyclopenta-1,3-diene;(2,3,4,5-tetraethylcyclopenta-1,3-dien-1-yl)benzene;titanium(4+);dichloride is CCc1c(CC)c(-c2ccccc2)[c-](CC)c1CC.[Cl-].[Cl-].[Ti+4].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;(2,3,4,5-tetraethylcyclopenta-1,3-dien-1-yl)benzene;titanium(4+);dichloride?
The InChIKey is FDYZPLANYMHONR-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H25.C5H5.2ClH.Ti/c1-5-15-16(6-2)18(8-4)19(17(15)7-3)14-12-10-9-11-13-14;1-2-4-5-3-1;;;/h9-13H,5-8H2,1-4H3;1-5H;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of cyclopenta-1,3-diene;(2,3,4,5-tetraethylcyclopenta-1,3-dien-1-yl)benzene;titanium(4+);dichloride?
cyclopenta-1,3-diene;(2,3,4,5-tetraethylcyclopenta-1,3-dien-1-yl)benzene;titanium(4+);dichloride has a molecular weight of 437.28 g/mol, XLogP of 0.73, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;(2,3,4,5-tetraethylcyclopenta-1,3-dien-1-yl)benzene;titanium(4+);dichloride is sourced from PubChem (CID 160933646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).