hexakis(cyclopenta-1,3-diene);lanthanum(3+);rhenium

C30H30LaRe3-3 — CID 45489530

IUPAChexakis(cyclopenta-1,3-diene);lanthanum(3+);rhenium
SMILES[La+3].[Re].[Re].[Re].c1cc[cH-]c1.c1cc[cH-]c1.c1cc[cH-]c1.c1cc[cH-]c1.c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/6C5H5.La.3Re/c6*1-2-4-5-3-1;;;;/h6*1-5H;;;;/q6*-1;+3;;;
InChIKeyPVZNOOZHDVOCRH-UHFFFAOYSA-N
MW1088.10 g/mol
LogP8.43
Rot. Bonds

About hexakis(cyclopenta-1,3-diene);lanthanum(3+);rhenium

hexakis(cyclopenta-1,3-diene);lanthanum(3+);rhenium (PubChem CID 45489530) has the molecular formula C30H30LaRe3-3 and a molecular weight of 1088.10 g/mol. Its IUPAC name is hexakis(cyclopenta-1,3-diene);lanthanum(3+);rhenium.

Molecular Properties

Compound Namehexakis(cyclopenta-1,3-diene);lanthanum(3+);rhenium
PubChem CID45489530
Molecular FormulaC30H30LaRe3-3
Molecular Weight1088.10 g/mol
Exact Mass1090.01
IUPAC Namehexakis(cyclopenta-1,3-diene);lanthanum(3+);rhenium
SMILES[La+3].[Re].[Re].[Re].c1cc[cH-]c1.c1cc[cH-]c1.c1cc[cH-]c1.c1cc[cH-]c1.c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/6C5H5.La.3Re/c6*1-2-4-5-3-1;;;;/h6*1-5H;;;;/q6*-1;+3;;;
InChIKeyPVZNOOZHDVOCRH-UHFFFAOYSA-N
XLogP8.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001088.10
LogP ≤ 58.43
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

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CID 154419061
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CID 25199992
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CID 15972602
carbanide;cyclopenta-1,3-diene;iron(3+)
CID 139939973
tetrakis(cyclopenta-1,3-diene);zirconium;zirconium(4+)
CID 161107864
carbanide;bis(cyclopenta-1,3-diene);zirconium(4+)
CID 72747194
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Frequently Asked Questions

What is the IUPAC name of hexakis(cyclopenta-1,3-diene);lanthanum(3+);rhenium?
The IUPAC name of hexakis(cyclopenta-1,3-diene);lanthanum(3+);rhenium (CID 45489530) is hexakis(cyclopenta-1,3-diene);lanthanum(3+);rhenium.
What is the SMILES notation for hexakis(cyclopenta-1,3-diene);lanthanum(3+);rhenium?
The canonical SMILES for hexakis(cyclopenta-1,3-diene);lanthanum(3+);rhenium is [La+3].[Re].[Re].[Re].c1cc[cH-]c1.c1cc[cH-]c1.c1cc[cH-]c1.c1cc[cH-]c1.c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of hexakis(cyclopenta-1,3-diene);lanthanum(3+);rhenium?
The InChIKey is PVZNOOZHDVOCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/6C5H5.La.3Re/c6*1-2-4-5-3-1;;;;/h6*1-5H;;;;/q6*-1;+3;;;.
What are the key properties of hexakis(cyclopenta-1,3-diene);lanthanum(3+);rhenium?
hexakis(cyclopenta-1,3-diene);lanthanum(3+);rhenium has a molecular weight of 1088.10 g/mol, XLogP of 8.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(cyclopenta-1,3-diene);lanthanum(3+);rhenium is sourced from PubChem (CID 45489530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).