copper;[4-[(4-methoxyphenyl)-(4-methyloxoniophenyl)phosphanyl]phenyl]-methyloxidanium;tris(4-methoxyphenyl)phosphane

C42H44CuO6P2+2 — CID 102442136

IUPACcopper;[4-[(4-methoxyphenyl)-(4-methyloxoniophenyl)phosphanyl]phenyl]-methyloxidanium;tris(4-methoxyphenyl)phosphane
SMILESCOc1ccc(P(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.COc1ccc(P(c2ccc([OH+]C)cc2)c2ccc([OH+]C)cc2)cc1.[Cu]
InChIInChI=1S/2C21H21O3P.Cu/c2*1-22-16-4-10-19(11-5-16)25(20-12-6-17(23-2)7-13-20)21-14-8-18(24-3)9-15-21;/h2*4-15H,1-3H3;/p+2
InChIKeyXGUKTNNFZZXAOR-UHFFFAOYSA-P
MW770.30 g/mol
LogP6.66
Rot. Bonds12

About copper;[4-[(4-methoxyphenyl)-(4-methyloxoniophenyl)phosphanyl]phenyl]-methyloxidanium;tris(4-methoxyphenyl)phosphane

copper;[4-[(4-methoxyphenyl)-(4-methyloxoniophenyl)phosphanyl]phenyl]-methyloxidanium;tris(4-methoxyphenyl)phosphane (PubChem CID 102442136) has the molecular formula C42H44CuO6P2+2 and a molecular weight of 770.30 g/mol. Its IUPAC name is copper;[4-[(4-methoxyphenyl)-(4-methyloxoniophenyl)phosphanyl]phenyl]-methyloxidanium;tris(4-methoxyphenyl)phosphane.

Molecular Properties

Compound Namecopper;[4-[(4-methoxyphenyl)-(4-methyloxoniophenyl)phosphanyl]phenyl]-methyloxidanium;tris(4-methoxyphenyl)phosphane
PubChem CID102442136
Molecular FormulaC42H44CuO6P2+2
Molecular Weight770.30 g/mol
Exact Mass769.19
IUPAC Namecopper;[4-[(4-methoxyphenyl)-(4-methyloxoniophenyl)phosphanyl]phenyl]-methyloxidanium;tris(4-methoxyphenyl)phosphane
SMILESCOc1ccc(P(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.COc1ccc(P(c2ccc([OH+]C)cc2)c2ccc([OH+]C)cc2)cc1.[Cu]
InChIInChI=1S/2C21H21O3P.Cu/c2*1-22-16-4-10-19(11-5-16)25(20-12-6-17(23-2)7-13-20)21-14-8-18(24-3)9-15-21;/h2*4-15H,1-3H3;/p+2
InChIKeyXGUKTNNFZZXAOR-UHFFFAOYSA-P
XLogP6.66
TPSA62.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.30
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'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 copper;[4-[(4-methoxyphenyl)-(4-methyloxoniophenyl)phosphanyl]phenyl]-methyloxidanium;tris(4-methoxyphenyl)phosphane?
The IUPAC name of copper;[4-[(4-methoxyphenyl)-(4-methyloxoniophenyl)phosphanyl]phenyl]-methyloxidanium;tris(4-methoxyphenyl)phosphane (CID 102442136) is copper;[4-[(4-methoxyphenyl)-(4-methyloxoniophenyl)phosphanyl]phenyl]-methyloxidanium;tris(4-methoxyphenyl)phosphane.
What is the SMILES notation for copper;[4-[(4-methoxyphenyl)-(4-methyloxoniophenyl)phosphanyl]phenyl]-methyloxidanium;tris(4-methoxyphenyl)phosphane?
The canonical SMILES for copper;[4-[(4-methoxyphenyl)-(4-methyloxoniophenyl)phosphanyl]phenyl]-methyloxidanium;tris(4-methoxyphenyl)phosphane is COc1ccc(P(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.COc1ccc(P(c2ccc([OH+]C)cc2)c2ccc([OH+]C)cc2)cc1.[Cu].
What is the InChIKey of copper;[4-[(4-methoxyphenyl)-(4-methyloxoniophenyl)phosphanyl]phenyl]-methyloxidanium;tris(4-methoxyphenyl)phosphane?
The InChIKey is XGUKTNNFZZXAOR-UHFFFAOYSA-P. The full InChI is InChI=1S/2C21H21O3P.Cu/c2*1-22-16-4-10-19(11-5-16)25(20-12-6-17(23-2)7-13-20)21-14-8-18(24-3)9-15-21;/h2*4-15H,1-3H3;/p+2.
What are the key properties of copper;[4-[(4-methoxyphenyl)-(4-methyloxoniophenyl)phosphanyl]phenyl]-methyloxidanium;tris(4-methoxyphenyl)phosphane?
copper;[4-[(4-methoxyphenyl)-(4-methyloxoniophenyl)phosphanyl]phenyl]-methyloxidanium;tris(4-methoxyphenyl)phosphane has a molecular weight of 770.30 g/mol, XLogP of 6.66, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;[4-[(4-methoxyphenyl)-(4-methyloxoniophenyl)phosphanyl]phenyl]-methyloxidanium;tris(4-methoxyphenyl)phosphane is sourced from PubChem (CID 102442136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).