diiodocobalt;bis(diphenylphosphorylbenzene)

C36H30CoI2O2P2 — CID 154702808

IUPACdiiodocobalt;bis(diphenylphosphorylbenzene)
SMILESI[Co]I.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.O=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C18H15OP.Co.2HI/c2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;;2*1H/q;;+2;;/p-2
InChIKeyUWHWQZLLLNUWKA-UHFFFAOYSA-L
MW869.32 g/mol
LogP8.42
Rot. Bonds6

About diiodocobalt;bis(diphenylphosphorylbenzene)

diiodocobalt;bis(diphenylphosphorylbenzene) (PubChem CID 154702808) has the molecular formula C36H30CoI2O2P2 and a molecular weight of 869.32 g/mol. Its IUPAC name is diiodocobalt;bis(diphenylphosphorylbenzene).

Molecular Properties

Compound Namediiodocobalt;bis(diphenylphosphorylbenzene)
PubChem CID154702808
Molecular FormulaC36H30CoI2O2P2
Molecular Weight869.32 g/mol
Exact Mass868.91
IUPAC Namediiodocobalt;bis(diphenylphosphorylbenzene)
SMILESI[Co]I.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.O=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C18H15OP.Co.2HI/c2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;;2*1H/q;;+2;;/p-2
InChIKeyUWHWQZLLLNUWKA-UHFFFAOYSA-L
XLogP8.42
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.32
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 diiodocobalt;bis(diphenylphosphorylbenzene)?
The IUPAC name of diiodocobalt;bis(diphenylphosphorylbenzene) (CID 154702808) is diiodocobalt;bis(diphenylphosphorylbenzene).
What is the SMILES notation for diiodocobalt;bis(diphenylphosphorylbenzene)?
The canonical SMILES for diiodocobalt;bis(diphenylphosphorylbenzene) is I[Co]I.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of diiodocobalt;bis(diphenylphosphorylbenzene)?
The InChIKey is UWHWQZLLLNUWKA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H15OP.Co.2HI/c2*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*1-15H;;2*1H/q;;+2;;/p-2.
What are the key properties of diiodocobalt;bis(diphenylphosphorylbenzene)?
diiodocobalt;bis(diphenylphosphorylbenzene) has a molecular weight of 869.32 g/mol, XLogP of 8.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diiodocobalt;bis(diphenylphosphorylbenzene) is sourced from PubChem (CID 154702808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).