bis(2,4,6-trimethylphenyl)-[[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]phosphane;dibromonickel

C33H38Br2NNiP — CID 11216183

IUPACbis(2,4,6-trimethylphenyl)-[[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]phosphane;dibromonickel
SMILESBr[Ni]Br.Cc1cc(C)c(-c2cccc(CP(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)n2)c(C)c1
InChIInChI=1S/C33H38NP.2BrH.Ni/c1-20-13-23(4)31(24(5)14-20)30-12-10-11-29(34-30)19-35(32-25(6)15-21(2)16-26(32)7)33-27(8)17-22(3)18-28(33)9;;;/h10-18H,19H2,1-9H3;2*1H;/q;;;+2/p-2
InChIKeyKIZONVRSVZUHGC-UHFFFAOYSA-L
MW698.15 g/mol
LogP9.85
Rot. Bonds5

About bis(2,4,6-trimethylphenyl)-[[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]phosphane;dibromonickel

bis(2,4,6-trimethylphenyl)-[[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]phosphane;dibromonickel (PubChem CID 11216183) has the molecular formula C33H38Br2NNiP and a molecular weight of 698.15 g/mol. Its IUPAC name is bis(2,4,6-trimethylphenyl)-[[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]phosphane;dibromonickel.

Molecular Properties

Compound Namebis(2,4,6-trimethylphenyl)-[[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]phosphane;dibromonickel
PubChem CID11216183
Molecular FormulaC33H38Br2NNiP
Molecular Weight698.15 g/mol
Exact Mass695.05
IUPAC Namebis(2,4,6-trimethylphenyl)-[[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]phosphane;dibromonickel
SMILESBr[Ni]Br.Cc1cc(C)c(-c2cccc(CP(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)n2)c(C)c1
InChIInChI=1S/C33H38NP.2BrH.Ni/c1-20-13-23(4)31(24(5)14-20)30-12-10-11-29(34-30)19-35(32-25(6)15-21(2)16-26(32)7)33-27(8)17-22(3)18-28(33)9;;;/h10-18H,19H2,1-9H3;2*1H;/q;;;+2/p-2
InChIKeyKIZONVRSVZUHGC-UHFFFAOYSA-L
XLogP9.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.15
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2,4,6-trimethylphenyl)-[[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]phosphane;dibromonickel?
The IUPAC name of bis(2,4,6-trimethylphenyl)-[[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]phosphane;dibromonickel (CID 11216183) is bis(2,4,6-trimethylphenyl)-[[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]phosphane;dibromonickel.
What is the SMILES notation for bis(2,4,6-trimethylphenyl)-[[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]phosphane;dibromonickel?
The canonical SMILES for bis(2,4,6-trimethylphenyl)-[[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]phosphane;dibromonickel is Br[Ni]Br.Cc1cc(C)c(-c2cccc(CP(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)n2)c(C)c1.
What is the InChIKey of bis(2,4,6-trimethylphenyl)-[[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]phosphane;dibromonickel?
The InChIKey is KIZONVRSVZUHGC-UHFFFAOYSA-L. The full InChI is InChI=1S/C33H38NP.2BrH.Ni/c1-20-13-23(4)31(24(5)14-20)30-12-10-11-29(34-30)19-35(32-25(6)15-21(2)16-26(32)7)33-27(8)17-22(3)18-28(33)9;;;/h10-18H,19H2,1-9H3;2*1H;/q;;;+2/p-2.
What are the key properties of bis(2,4,6-trimethylphenyl)-[[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]phosphane;dibromonickel?
bis(2,4,6-trimethylphenyl)-[[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]phosphane;dibromonickel has a molecular weight of 698.15 g/mol, XLogP of 9.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4,6-trimethylphenyl)-[[6-(2,4,6-trimethylphenyl)-2-pyridinyl]methyl]phosphane;dibromonickel is sourced from PubChem (CID 11216183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).