bromonickel;2-methanidylprop-1-ene;triphenylphosphanium

C22H22BrNiP- — CID 6333462

IUPACbromonickel;2-methanidylprop-1-ene;triphenylphosphanium
SMILES[H]/[C-]=C(/[CH2-])C.[Ni]Br.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C4H6.BrH.Ni/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4(2)3;;/h1-15H;1H,2H2,3H3;1H;/q;-2;;+1
InChIKeyAJDCQLAEWGKSCA-UHFFFAOYSA-N
MW455.99 g/mol
LogP5.22
Rot. Bonds3

About bromonickel;2-methanidylprop-1-ene;triphenylphosphanium

bromonickel;2-methanidylprop-1-ene;triphenylphosphanium (PubChem CID 6333462) has the molecular formula C22H22BrNiP- and a molecular weight of 455.99 g/mol. Its IUPAC name is bromonickel;2-methanidylprop-1-ene;triphenylphosphanium.

Molecular Properties

Compound Namebromonickel;2-methanidylprop-1-ene;triphenylphosphanium
PubChem CID6333462
Molecular FormulaC22H22BrNiP-
Molecular Weight455.99 g/mol
Exact Mass454.00
IUPAC Namebromonickel;2-methanidylprop-1-ene;triphenylphosphanium
SMILES[H]/[C-]=C(/[CH2-])C.[Ni]Br.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C4H6.BrH.Ni/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4(2)3;;/h1-15H;1H,2H2,3H3;1H;/q;-2;;+1
InChIKeyAJDCQLAEWGKSCA-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.99
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromonickel;2-methanidylprop-1-ene;triphenylphosphanium?
The IUPAC name of bromonickel;2-methanidylprop-1-ene;triphenylphosphanium (CID 6333462) is bromonickel;2-methanidylprop-1-ene;triphenylphosphanium.
What is the SMILES notation for bromonickel;2-methanidylprop-1-ene;triphenylphosphanium?
The canonical SMILES for bromonickel;2-methanidylprop-1-ene;triphenylphosphanium is [H]/[C-]=C(/[CH2-])C.[Ni]Br.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bromonickel;2-methanidylprop-1-ene;triphenylphosphanium?
The InChIKey is AJDCQLAEWGKSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C4H6.BrH.Ni/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4(2)3;;/h1-15H;1H,2H2,3H3;1H;/q;-2;;+1.
What are the key properties of bromonickel;2-methanidylprop-1-ene;triphenylphosphanium?
bromonickel;2-methanidylprop-1-ene;triphenylphosphanium has a molecular weight of 455.99 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromonickel;2-methanidylprop-1-ene;triphenylphosphanium is sourced from PubChem (CID 6333462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).