cobalt(2+);bis(tris(4-methylphenyl)phosphane);dichloride

C42H42Cl2CoP2 — CID 161245317

IUPACcobalt(2+);bis(tris(4-methylphenyl)phosphane);dichloride
SMILESCc1ccc(P(c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc(P(c2ccc(C)cc2)c2ccc(C)cc2)cc1.[Cl-].[Cl-].[Co+2]
InChIInChI=1S/2C21H21P.2ClH.Co/c2*1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;;;/h2*4-15H,1-3H3;2*1H;/q;;;;+2/p-2
InChIKeyVAOCMXAVPAYXBV-UHFFFAOYSA-L
MW738.59 g/mol
LogP2.75
Rot. Bonds6

About cobalt(2+);bis(tris(4-methylphenyl)phosphane);dichloride

cobalt(2+);bis(tris(4-methylphenyl)phosphane);dichloride (PubChem CID 161245317) has the molecular formula C42H42Cl2CoP2 and a molecular weight of 738.59 g/mol. Its IUPAC name is cobalt(2+);bis(tris(4-methylphenyl)phosphane);dichloride.

Molecular Properties

Compound Namecobalt(2+);bis(tris(4-methylphenyl)phosphane);dichloride
PubChem CID161245317
Molecular FormulaC42H42Cl2CoP2
Molecular Weight738.59 g/mol
Exact Mass737.15
IUPAC Namecobalt(2+);bis(tris(4-methylphenyl)phosphane);dichloride
SMILESCc1ccc(P(c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc(P(c2ccc(C)cc2)c2ccc(C)cc2)cc1.[Cl-].[Cl-].[Co+2]
InChIInChI=1S/2C21H21P.2ClH.Co/c2*1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;;;/h2*4-15H,1-3H3;2*1H;/q;;;;+2/p-2
InChIKeyVAOCMXAVPAYXBV-UHFFFAOYSA-L
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500738.59
LogP ≤ 52.75
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

platinum;tris(tris(4-methylphenyl)phosphane)
CID 71361072
ethane;tris(4-methylphenyl)phosphane
CID 145151678
diiodopalladium;bis(tris(4-methylphenyl)phosphane)
CID 23037656
(3,5-dimethylphenyl)-bis(4-methylphenyl)phosphane
CID 129275176
silver;tris(4-methylphenyl)phosphane;perchlorate
CID 135045911
(4-methylphenyl)-[4-[(4-methylphenyl)-phenylphosphanyl]phenyl]-phenylphosphane
CID 141372825
palladium(2+);tris(4-methylphenyl)phosphane;diacetate
CID 173264842
N-[4-[4-[4-[N-[4-[4-[4-bis(4-methylphenyl)phosphanylphenyl]phenyl]phenyl]-4-(4-methylphenyl)anilino]phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 134954989
bis(gold(1+));octa-1,3,5,7-tetrayne;bis(tris(4-methylphenyl)phosphane)
CID 11457496
bis(4-methylphenyl)-pyridin-2-ylphosphane
CID 21284190
bis(chloroplatinum(1+));octa-1,3,5,7-tetrayne;tetrakis(tris(4-methylphenyl)phosphane)
CID 134977732
boranyl-bis(4-methylphenyl)phosphane
CID 101471392

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(tris(4-methylphenyl)phosphane);dichloride?
The IUPAC name of cobalt(2+);bis(tris(4-methylphenyl)phosphane);dichloride (CID 161245317) is cobalt(2+);bis(tris(4-methylphenyl)phosphane);dichloride.
What is the SMILES notation for cobalt(2+);bis(tris(4-methylphenyl)phosphane);dichloride?
The canonical SMILES for cobalt(2+);bis(tris(4-methylphenyl)phosphane);dichloride is Cc1ccc(P(c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc(P(c2ccc(C)cc2)c2ccc(C)cc2)cc1.[Cl-].[Cl-].[Co+2].
What is the InChIKey of cobalt(2+);bis(tris(4-methylphenyl)phosphane);dichloride?
The InChIKey is VAOCMXAVPAYXBV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C21H21P.2ClH.Co/c2*1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;;;/h2*4-15H,1-3H3;2*1H;/q;;;;+2/p-2.
What are the key properties of cobalt(2+);bis(tris(4-methylphenyl)phosphane);dichloride?
cobalt(2+);bis(tris(4-methylphenyl)phosphane);dichloride has a molecular weight of 738.59 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(tris(4-methylphenyl)phosphane);dichloride is sourced from PubChem (CID 161245317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).