dibromocobalt;bis(tricyclohexylphosphane)

C36H66Br2CoP2 — CID 159401861

IUPACdibromocobalt;bis(tricyclohexylphosphane)
SMILESBr[Co]Br.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/2C18H33P.2BrH.Co/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*16-18H,1-15H2;2*1H;/q;;;;+2/p-2
InChIKeyLNLDGRQKWGJGLP-UHFFFAOYSA-L
MW779.61 g/mol
LogP14.62
Rot. Bonds6

About dibromocobalt;bis(tricyclohexylphosphane)

dibromocobalt;bis(tricyclohexylphosphane) (PubChem CID 159401861) has the molecular formula C36H66Br2CoP2 and a molecular weight of 779.61 g/mol. Its IUPAC name is dibromocobalt;bis(tricyclohexylphosphane).

Molecular Properties

Compound Namedibromocobalt;bis(tricyclohexylphosphane)
PubChem CID159401861
Molecular FormulaC36H66Br2CoP2
Molecular Weight779.61 g/mol
Exact Mass777.23
IUPAC Namedibromocobalt;bis(tricyclohexylphosphane)
SMILESBr[Co]Br.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/2C18H33P.2BrH.Co/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*16-18H,1-15H2;2*1H;/q;;;;+2/p-2
InChIKeyLNLDGRQKWGJGLP-UHFFFAOYSA-L
XLogP14.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.61
LogP ≤ 514.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of dibromocobalt;bis(tricyclohexylphosphane)?
The IUPAC name of dibromocobalt;bis(tricyclohexylphosphane) (CID 159401861) is dibromocobalt;bis(tricyclohexylphosphane).
What is the SMILES notation for dibromocobalt;bis(tricyclohexylphosphane)?
The canonical SMILES for dibromocobalt;bis(tricyclohexylphosphane) is Br[Co]Br.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.
What is the InChIKey of dibromocobalt;bis(tricyclohexylphosphane)?
The InChIKey is LNLDGRQKWGJGLP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H33P.2BrH.Co/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;/h2*16-18H,1-15H2;2*1H;/q;;;;+2/p-2.
What are the key properties of dibromocobalt;bis(tricyclohexylphosphane)?
dibromocobalt;bis(tricyclohexylphosphane) has a molecular weight of 779.61 g/mol, XLogP of 14.62, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibromocobalt;bis(tricyclohexylphosphane) is sourced from PubChem (CID 159401861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).