bis(chlorotitanium(1+));bis(2-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene)

C20H18Cl2Ti2 — CID 50918959

IUPACbis(chlorotitanium(1+));bis(2-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene)
SMILESC1=CC(c2cc[cH-]c2)C=C1.C1=CC(c2cc[cH-]c2)C=C1.Cl[Ti+].Cl[Ti+]
InChIInChI=1S/2C10H9.2ClH.2Ti/c2*1-2-6-9(5-1)10-7-3-4-8-10;;;;/h2*1-9H;2*1H;;/q2*-1;;;2*+2/p-2
InChIKeyKVKVPYZKBXXBLX-UHFFFAOYSA-L
MW425.00 g/mol
LogP6.60
Rot. Bonds2

About bis(chlorotitanium(1+));bis(2-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene)

bis(chlorotitanium(1+));bis(2-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene) (PubChem CID 50918959) has the molecular formula C20H18Cl2Ti2 and a molecular weight of 425.00 g/mol. Its IUPAC name is bis(chlorotitanium(1+));bis(2-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene).

Molecular Properties

Compound Namebis(chlorotitanium(1+));bis(2-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene)
PubChem CID50918959
Molecular FormulaC20H18Cl2Ti2
Molecular Weight425.00 g/mol
Exact Mass423.97
IUPAC Namebis(chlorotitanium(1+));bis(2-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene)
SMILESC1=CC(c2cc[cH-]c2)C=C1.C1=CC(c2cc[cH-]c2)C=C1.Cl[Ti+].Cl[Ti+]
InChIInChI=1S/2C10H9.2ClH.2Ti/c2*1-2-6-9(5-1)10-7-3-4-8-10;;;;/h2*1-9H;2*1H;;/q2*-1;;;2*+2/p-2
InChIKeyKVKVPYZKBXXBLX-UHFFFAOYSA-L
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.00
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(chlorotitanium(1+));bis(2-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene) with MolForge

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Related Compounds

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1-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene
CID 135031993
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CID 177441188
CID 177441188
4-cyclopenta-2,4-dien-1-ylbenzoic acid
CID 11985711
1-cyclopenta-2,4-dien-1-yl-4-nitrobenzene
CID 627934
1-cyclopenta-2,4-dien-1-yl-3-methoxybenzene
CID 101067794
4-[(E)-2-(4-cyclopenta-2,4-dien-1-ylphenyl)ethenyl]-1-methylpyridin-1-ium
CID 102165124
4-cyclopenta-2,4-dien-1-yl-2,6-dipyridin-4-ylpyridine
CID 122373883

Frequently Asked Questions

What is the IUPAC name of bis(chlorotitanium(1+));bis(2-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene)?
The IUPAC name of bis(chlorotitanium(1+));bis(2-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene) (CID 50918959) is bis(chlorotitanium(1+));bis(2-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene).
What is the SMILES notation for bis(chlorotitanium(1+));bis(2-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene)?
The canonical SMILES for bis(chlorotitanium(1+));bis(2-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene) is C1=CC(c2cc[cH-]c2)C=C1.C1=CC(c2cc[cH-]c2)C=C1.Cl[Ti+].Cl[Ti+].
What is the InChIKey of bis(chlorotitanium(1+));bis(2-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene)?
The InChIKey is KVKVPYZKBXXBLX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H9.2ClH.2Ti/c2*1-2-6-9(5-1)10-7-3-4-8-10;;;;/h2*1-9H;2*1H;;/q2*-1;;;2*+2/p-2.
What are the key properties of bis(chlorotitanium(1+));bis(2-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene)?
bis(chlorotitanium(1+));bis(2-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene) has a molecular weight of 425.00 g/mol, XLogP of 6.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(chlorotitanium(1+));bis(2-cyclopenta-2,4-dien-1-ylcyclopenta-1,3-diene) is sourced from PubChem (CID 50918959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).