cyclopenta-1,3-diene;diiodocobalt;triphenylphosphanium

C23H17CoI2P-4 — CID 6332621

IUPACcyclopenta-1,3-diene;diiodocobalt;triphenylphosphanium
SMILESI[Co]I.[c-]1[c-][c-][cH-][c-]1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C5H.Co.2HI/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;;;/h1-15H;1H;;2*1H/q;-5;+2;;/p-1
InChIKeyFQJKGHJRFKHHOK-UHFFFAOYSA-M
MW637.10 g/mol
LogP5.55
Rot. Bonds3

About cyclopenta-1,3-diene;diiodocobalt;triphenylphosphanium

cyclopenta-1,3-diene;diiodocobalt;triphenylphosphanium (PubChem CID 6332621) has the molecular formula C23H17CoI2P-4 and a molecular weight of 637.10 g/mol. Its IUPAC name is cyclopenta-1,3-diene;diiodocobalt;triphenylphosphanium.

Molecular Properties

Compound Namecyclopenta-1,3-diene;diiodocobalt;triphenylphosphanium
PubChem CID6332621
Molecular FormulaC23H17CoI2P-4
Molecular Weight637.10 g/mol
Exact Mass636.85
IUPAC Namecyclopenta-1,3-diene;diiodocobalt;triphenylphosphanium
SMILESI[Co]I.[c-]1[c-][c-][cH-][c-]1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C5H.Co.2HI/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;;;/h1-15H;1H;;2*1H/q;-5;+2;;/p-1
InChIKeyFQJKGHJRFKHHOK-UHFFFAOYSA-M
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.10
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;diiodocobalt;triphenylphosphanium?
The IUPAC name of cyclopenta-1,3-diene;diiodocobalt;triphenylphosphanium (CID 6332621) is cyclopenta-1,3-diene;diiodocobalt;triphenylphosphanium.
What is the SMILES notation for cyclopenta-1,3-diene;diiodocobalt;triphenylphosphanium?
The canonical SMILES for cyclopenta-1,3-diene;diiodocobalt;triphenylphosphanium is I[Co]I.[c-]1[c-][c-][cH-][c-]1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of cyclopenta-1,3-diene;diiodocobalt;triphenylphosphanium?
The InChIKey is FQJKGHJRFKHHOK-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15P.C5H.Co.2HI/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-5-3-1;;;/h1-15H;1H;;2*1H/q;-5;+2;;/p-1.
What are the key properties of cyclopenta-1,3-diene;diiodocobalt;triphenylphosphanium?
cyclopenta-1,3-diene;diiodocobalt;triphenylphosphanium has a molecular weight of 637.10 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;diiodocobalt;triphenylphosphanium is sourced from PubChem (CID 6332621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).