dichloronickel;2-diphenylphosphaniumylethyl-[2-[2-diphenylphosphaniumylethyl(phenyl)phosphaniumyl]ethyl]-phenylphosphanium

C42H46Cl2NiP4+4 — CID 6383237

IUPACdichloronickel;2-diphenylphosphaniumylethyl-[2-[2-diphenylphosphaniumylethyl(phenyl)phosphaniumyl]ethyl]-phenylphosphanium
SMILESCl[Ni]Cl.c1ccc([PH+](CC[PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)CC[PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C42H42P4.2ClH.Ni/c1-7-19-37(20-8-1)43(33-35-45(39-23-11-3-12-24-39)40-25-13-4-14-26-40)31-32-44(38-21-9-2-10-22-38)34-36-46(41-27-15-5-16-28-41)42-29-17-6-18-30-42;;;/h1-30H,31-36H2;2*1H;/q;;;+2/p+2
InChIKeyBIZBURDLAFWITG-UHFFFAOYSA-P
MW804.33 g/mol
LogP9.17
Rot. Bonds15

About dichloronickel;2-diphenylphosphaniumylethyl-[2-[2-diphenylphosphaniumylethyl(phenyl)phosphaniumyl]ethyl]-phenylphosphanium

dichloronickel;2-diphenylphosphaniumylethyl-[2-[2-diphenylphosphaniumylethyl(phenyl)phosphaniumyl]ethyl]-phenylphosphanium (PubChem CID 6383237) has the molecular formula C42H46Cl2NiP4+4 and a molecular weight of 804.33 g/mol. Its IUPAC name is dichloronickel;2-diphenylphosphaniumylethyl-[2-[2-diphenylphosphaniumylethyl(phenyl)phosphaniumyl]ethyl]-phenylphosphanium.

Molecular Properties

Compound Namedichloronickel;2-diphenylphosphaniumylethyl-[2-[2-diphenylphosphaniumylethyl(phenyl)phosphaniumyl]ethyl]-phenylphosphanium
PubChem CID6383237
Molecular FormulaC42H46Cl2NiP4+4
Molecular Weight804.33 g/mol
Exact Mass802.13
IUPAC Namedichloronickel;2-diphenylphosphaniumylethyl-[2-[2-diphenylphosphaniumylethyl(phenyl)phosphaniumyl]ethyl]-phenylphosphanium
SMILESCl[Ni]Cl.c1ccc([PH+](CC[PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)CC[PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C42H42P4.2ClH.Ni/c1-7-19-37(20-8-1)43(33-35-45(39-23-11-3-12-24-39)40-25-13-4-14-26-40)31-32-44(38-21-9-2-10-22-38)34-36-46(41-27-15-5-16-28-41)42-29-17-6-18-30-42;;;/h1-30H,31-36H2;2*1H;/q;;;+2/p+2
InChIKeyBIZBURDLAFWITG-UHFFFAOYSA-P
XLogP9.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.33
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloronickel;2-diphenylphosphaniumylethyl-[2-[2-diphenylphosphaniumylethyl(phenyl)phosphaniumyl]ethyl]-phenylphosphanium?
The IUPAC name of dichloronickel;2-diphenylphosphaniumylethyl-[2-[2-diphenylphosphaniumylethyl(phenyl)phosphaniumyl]ethyl]-phenylphosphanium (CID 6383237) is dichloronickel;2-diphenylphosphaniumylethyl-[2-[2-diphenylphosphaniumylethyl(phenyl)phosphaniumyl]ethyl]-phenylphosphanium.
What is the SMILES notation for dichloronickel;2-diphenylphosphaniumylethyl-[2-[2-diphenylphosphaniumylethyl(phenyl)phosphaniumyl]ethyl]-phenylphosphanium?
The canonical SMILES for dichloronickel;2-diphenylphosphaniumylethyl-[2-[2-diphenylphosphaniumylethyl(phenyl)phosphaniumyl]ethyl]-phenylphosphanium is Cl[Ni]Cl.c1ccc([PH+](CC[PH+](CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)CC[PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dichloronickel;2-diphenylphosphaniumylethyl-[2-[2-diphenylphosphaniumylethyl(phenyl)phosphaniumyl]ethyl]-phenylphosphanium?
The InChIKey is BIZBURDLAFWITG-UHFFFAOYSA-P. The full InChI is InChI=1S/C42H42P4.2ClH.Ni/c1-7-19-37(20-8-1)43(33-35-45(39-23-11-3-12-24-39)40-25-13-4-14-26-40)31-32-44(38-21-9-2-10-22-38)34-36-46(41-27-15-5-16-28-41)42-29-17-6-18-30-42;;;/h1-30H,31-36H2;2*1H;/q;;;+2/p+2.
What are the key properties of dichloronickel;2-diphenylphosphaniumylethyl-[2-[2-diphenylphosphaniumylethyl(phenyl)phosphaniumyl]ethyl]-phenylphosphanium?
dichloronickel;2-diphenylphosphaniumylethyl-[2-[2-diphenylphosphaniumylethyl(phenyl)phosphaniumyl]ethyl]-phenylphosphanium has a molecular weight of 804.33 g/mol, XLogP of 9.17, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloronickel;2-diphenylphosphaniumylethyl-[2-[2-diphenylphosphaniumylethyl(phenyl)phosphaniumyl]ethyl]-phenylphosphanium is sourced from PubChem (CID 6383237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).