1-cyclopenta-2,4-dien-1-ylcyclohexa-1,4-diene;iridium

C11H12Ir — CID 158062216

IUPAC1-cyclopenta-2,4-dien-1-ylcyclohexa-1,4-diene;iridium
SMILESC1=CC(C2=CCC=CC2)C=C1.[Ir]
InChIInChI=1S/C11H12.Ir/c1-2-6-10(7-3-1)11-8-4-5-9-11;/h1-2,4-5,7-9,11H,3,6H2;
InChIKeyFKUCCBSGQSVVNC-UHFFFAOYSA-N
MW336.43 g/mol
LogP3.00
Rot. Bonds1

About 1-cyclopenta-2,4-dien-1-ylcyclohexa-1,4-diene;iridium

1-cyclopenta-2,4-dien-1-ylcyclohexa-1,4-diene;iridium (PubChem CID 158062216) has the molecular formula C11H12Ir and a molecular weight of 336.43 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-ylcyclohexa-1,4-diene;iridium.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-ylcyclohexa-1,4-diene;iridium
PubChem CID158062216
Molecular FormulaC11H12Ir
Molecular Weight336.43 g/mol
Exact Mass337.06
IUPAC Name1-cyclopenta-2,4-dien-1-ylcyclohexa-1,4-diene;iridium
SMILESC1=CC(C2=CCC=CC2)C=C1.[Ir]
InChIInChI=1S/C11H12.Ir/c1-2-6-10(7-3-1)11-8-4-5-9-11;/h1-2,4-5,7-9,11H,3,6H2;
InChIKeyFKUCCBSGQSVVNC-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-cyclopenta-2,4-dien-1-ylcyclohexa-1,4-diene;iridium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohex-3-en-1-ylcyclohexa-1,4-diene
CID 123875821
1-cyclopenta-2,4-dien-1-ylcycloheptene
CID 163288981
cobalt;1-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene
CID 159396232
1-cycloprop-2-en-1-ylcyclobutene
CID 90747929
(1Z,4Z)-1,6-dimethylcycloocta-1,4-diene
CID 156675048
2-cyclopenta-2,4-dien-1-ylcycloocta-1,3-diene
CID 151916060
cobalt;5-cyclopenta-1,3-dien-1-yl-1-methylcyclopenta-1,3-diene
CID 159859383
1,3a-dihydroinden-4-one
CID 102087814
1,2,3,4,6,8a-hexahydrocinnoline
CID 91056164
1-(1-iodoethenyl)cyclohexa-1,4-diene
CID 163736524
(1S)-1-cyclohexa-1,4-dien-1-ylethanamine
CID 59106002
2-[2-(3aH-inden-2-yl)ethyl]-5H-indene
CID 176529830

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-ylcyclohexa-1,4-diene;iridium?
The IUPAC name of 1-cyclopenta-2,4-dien-1-ylcyclohexa-1,4-diene;iridium (CID 158062216) is 1-cyclopenta-2,4-dien-1-ylcyclohexa-1,4-diene;iridium.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-ylcyclohexa-1,4-diene;iridium?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-ylcyclohexa-1,4-diene;iridium is C1=CC(C2=CCC=CC2)C=C1.[Ir].
What is the InChIKey of 1-cyclopenta-2,4-dien-1-ylcyclohexa-1,4-diene;iridium?
The InChIKey is FKUCCBSGQSVVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12.Ir/c1-2-6-10(7-3-1)11-8-4-5-9-11;/h1-2,4-5,7-9,11H,3,6H2;.
What are the key properties of 1-cyclopenta-2,4-dien-1-ylcyclohexa-1,4-diene;iridium?
1-cyclopenta-2,4-dien-1-ylcyclohexa-1,4-diene;iridium has a molecular weight of 336.43 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-ylcyclohexa-1,4-diene;iridium is sourced from PubChem (CID 158062216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).