1,1-dichloropropa-1,2-diene;bis(iridium);tris(propa-1,2-diene)

C12H14Cl2Ir2 — CID 173372784

IUPAC1,1-dichloropropa-1,2-diene;bis(iridium);tris(propa-1,2-diene)
SMILESC=C=C.C=C=C.C=C=C.C=C=C(Cl)Cl.[Ir].[Ir]
InChIInChI=1S/C3H2Cl2.3C3H4.2Ir/c1-2-3(4)5;3*1-3-2;;/h1H2;3*1-2H2;;
InChIKeyYQALTHYHPQWERG-UHFFFAOYSA-N
MW613.58 g/mol
LogP4.96
Rot. Bonds

About 1,1-dichloropropa-1,2-diene;bis(iridium);tris(propa-1,2-diene)

1,1-dichloropropa-1,2-diene;bis(iridium);tris(propa-1,2-diene) (PubChem CID 173372784) has the molecular formula C12H14Cl2Ir2 and a molecular weight of 613.58 g/mol. Its IUPAC name is 1,1-dichloropropa-1,2-diene;bis(iridium);tris(propa-1,2-diene).

Molecular Properties

Compound Name1,1-dichloropropa-1,2-diene;bis(iridium);tris(propa-1,2-diene)
PubChem CID173372784
Molecular FormulaC12H14Cl2Ir2
Molecular Weight613.58 g/mol
Exact Mass613.97
IUPAC Name1,1-dichloropropa-1,2-diene;bis(iridium);tris(propa-1,2-diene)
SMILESC=C=C.C=C=C.C=C=C.C=C=C(Cl)Cl.[Ir].[Ir]
InChIInChI=1S/C3H2Cl2.3C3H4.2Ir/c1-2-3(4)5;3*1-3-2;;/h1H2;3*1-2H2;;
InChIKeyYQALTHYHPQWERG-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500613.58
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,1-dichloropropa-1,2-diene;bis(iridium);tris(propa-1,2-diene) 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

propa-1,2-diene
CID 10037
methane;bis(propa-1,2-diene)
CID 158722714
hypochlorous acid
CID 161233655
propa-1,2-diene-1,1-dithiol
CID 88814621
methane;propa-1,2-diene;hydrate
CID 169425372
5-chloro-3,4-dimethylpenta-1,2-diene
CID 55302448
1-chloro-1,2,2-trifluoroethene;ethenone
CID 159920563
carbonyl dichloride;methanimine;dihydrochloride
CID 173345491
disodium;propa-1,2-diene-1,1-diolate
CID 163406175
propa-1,2-diene;propan-2-one
CID 159669386
ethene;1,1,2,2-tetrachloroethene
CID 173095715
benzene;propa-1,2-diene
CID 159058738

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloropropa-1,2-diene;bis(iridium);tris(propa-1,2-diene)?
The IUPAC name of 1,1-dichloropropa-1,2-diene;bis(iridium);tris(propa-1,2-diene) (CID 173372784) is 1,1-dichloropropa-1,2-diene;bis(iridium);tris(propa-1,2-diene).
What is the SMILES notation for 1,1-dichloropropa-1,2-diene;bis(iridium);tris(propa-1,2-diene)?
The canonical SMILES for 1,1-dichloropropa-1,2-diene;bis(iridium);tris(propa-1,2-diene) is C=C=C.C=C=C.C=C=C.C=C=C(Cl)Cl.[Ir].[Ir].
What is the InChIKey of 1,1-dichloropropa-1,2-diene;bis(iridium);tris(propa-1,2-diene)?
The InChIKey is YQALTHYHPQWERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2Cl2.3C3H4.2Ir/c1-2-3(4)5;3*1-3-2;;/h1H2;3*1-2H2;;.
What are the key properties of 1,1-dichloropropa-1,2-diene;bis(iridium);tris(propa-1,2-diene)?
1,1-dichloropropa-1,2-diene;bis(iridium);tris(propa-1,2-diene) has a molecular weight of 613.58 g/mol, XLogP of 4.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloropropa-1,2-diene;bis(iridium);tris(propa-1,2-diene) is sourced from PubChem (CID 173372784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).