bis(dichlororhenium);methanol;bis(tris(4-methoxyphenyl)phosphanium)

C44H52Cl4O8P2Re2+2 — CID 6397476

IUPACbis(dichlororhenium);methanol;bis(tris(4-methoxyphenyl)phosphanium)
SMILESCO.CO.COc1ccc([PH+](c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.COc1ccc([PH+](c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.Cl[Re]Cl.Cl[Re]Cl
InChIInChI=1S/2C21H21O3P.2CH4O.4ClH.2Re/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;2*1-2;;;;;;/h2*4-15H,1-3H3;2*2H,1H3;4*1H;;/q;;;;;;;;2*+2/p-2
InChIKeyHXLKKYAADLARSS-UHFFFAOYSA-L
MW1285.07 g/mol
LogP8.38
Rot. Bonds12

About bis(dichlororhenium);methanol;bis(tris(4-methoxyphenyl)phosphanium)

bis(dichlororhenium);methanol;bis(tris(4-methoxyphenyl)phosphanium) (PubChem CID 6397476) has the molecular formula C44H52Cl4O8P2Re2+2 and a molecular weight of 1285.07 g/mol. Its IUPAC name is bis(dichlororhenium);methanol;bis(tris(4-methoxyphenyl)phosphanium).

Molecular Properties

Compound Namebis(dichlororhenium);methanol;bis(tris(4-methoxyphenyl)phosphanium)
PubChem CID6397476
Molecular FormulaC44H52Cl4O8P2Re2+2
Molecular Weight1285.07 g/mol
Exact Mass1284.10
IUPAC Namebis(dichlororhenium);methanol;bis(tris(4-methoxyphenyl)phosphanium)
SMILESCO.CO.COc1ccc([PH+](c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.COc1ccc([PH+](c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.Cl[Re]Cl.Cl[Re]Cl
InChIInChI=1S/2C21H21O3P.2CH4O.4ClH.2Re/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;2*1-2;;;;;;/h2*4-15H,1-3H3;2*2H,1H3;4*1H;;/q;;;;;;;;2*+2/p-2
InChIKeyHXLKKYAADLARSS-UHFFFAOYSA-L
XLogP8.38
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001285.07
LogP ≤ 58.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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chloro-(4-methoxyphenyl)methanol
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bis(4-methoxyphenol);zirconium(2+);dichloride
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CID 12714057
CID 12714057
1-methoxy-4-(4-methoxyphenyl)selenonylbenzene
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CID 12000137

Frequently Asked Questions

What is the IUPAC name of bis(dichlororhenium);methanol;bis(tris(4-methoxyphenyl)phosphanium)?
The IUPAC name of bis(dichlororhenium);methanol;bis(tris(4-methoxyphenyl)phosphanium) (CID 6397476) is bis(dichlororhenium);methanol;bis(tris(4-methoxyphenyl)phosphanium).
What is the SMILES notation for bis(dichlororhenium);methanol;bis(tris(4-methoxyphenyl)phosphanium)?
The canonical SMILES for bis(dichlororhenium);methanol;bis(tris(4-methoxyphenyl)phosphanium) is CO.CO.COc1ccc([PH+](c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.COc1ccc([PH+](c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.Cl[Re]Cl.Cl[Re]Cl.
What is the InChIKey of bis(dichlororhenium);methanol;bis(tris(4-methoxyphenyl)phosphanium)?
The InChIKey is HXLKKYAADLARSS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C21H21O3P.2CH4O.4ClH.2Re/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;2*1-2;;;;;;/h2*4-15H,1-3H3;2*2H,1H3;4*1H;;/q;;;;;;;;2*+2/p-2.
What are the key properties of bis(dichlororhenium);methanol;bis(tris(4-methoxyphenyl)phosphanium)?
bis(dichlororhenium);methanol;bis(tris(4-methoxyphenyl)phosphanium) has a molecular weight of 1285.07 g/mol, XLogP of 8.38, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dichlororhenium);methanol;bis(tris(4-methoxyphenyl)phosphanium) is sourced from PubChem (CID 6397476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).