[[dimethyl(phenylimino)-λ5-phosphanyl]-(triphenyl-λ5-phosphanylidene)methyl]-triphenylphosphanium

C45H41NP3+ — CID 45146332

IUPAC[[dimethyl(phenylimino)-λ5-phosphanyl]-(triphenyl-λ5-phosphanylidene)methyl]-triphenylphosphanium
SMILESCP(C)(=Nc1ccccc1)C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C45H41NP3/c1-47(2,46-38-24-10-3-11-25-38)45(48(39-26-12-4-13-27-39,40-28-14-5-15-29-40)41-30-16-6-17-31-41)49(42-32-18-7-19-33-42,43-34-20-8-21-35-43)44-36-22-9-23-37-44/h3-37H,1-2H3/q+1
InChIKeyNLKBJKUEICYRMZ-UHFFFAOYSA-N
MW688.75 g/mol
LogP9.85
Rot. Bonds9

About [[dimethyl(phenylimino)-λ5-phosphanyl]-(triphenyl-λ5-phosphanylidene)methyl]-triphenylphosphanium

[[dimethyl(phenylimino)-λ5-phosphanyl]-(triphenyl-λ5-phosphanylidene)methyl]-triphenylphosphanium (PubChem CID 45146332) has the molecular formula C45H41NP3+ and a molecular weight of 688.75 g/mol. Its IUPAC name is [[dimethyl(phenylimino)-λ5-phosphanyl]-(triphenyl-λ5-phosphanylidene)methyl]-triphenylphosphanium.

Molecular Properties

Compound Name[[dimethyl(phenylimino)-λ5-phosphanyl]-(triphenyl-λ5-phosphanylidene)methyl]-triphenylphosphanium
PubChem CID45146332
Molecular FormulaC45H41NP3+
Molecular Weight688.75 g/mol
Exact Mass688.24
IUPAC Name[[dimethyl(phenylimino)-λ5-phosphanyl]-(triphenyl-λ5-phosphanylidene)methyl]-triphenylphosphanium
SMILESCP(C)(=Nc1ccccc1)C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C45H41NP3/c1-47(2,46-38-24-10-3-11-25-38)45(48(39-26-12-4-13-27-39,40-28-14-5-15-29-40)41-30-16-6-17-31-41)49(42-32-18-7-19-33-42,43-34-20-8-21-35-43)44-36-22-9-23-37-44/h3-37H,1-2H3/q+1
InChIKeyNLKBJKUEICYRMZ-UHFFFAOYSA-N
XLogP9.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.75
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 [[dimethyl(phenylimino)-λ5-phosphanyl]-(triphenyl-λ5-phosphanylidene)methyl]-triphenylphosphanium?
The IUPAC name of [[dimethyl(phenylimino)-λ5-phosphanyl]-(triphenyl-λ5-phosphanylidene)methyl]-triphenylphosphanium (CID 45146332) is [[dimethyl(phenylimino)-λ5-phosphanyl]-(triphenyl-λ5-phosphanylidene)methyl]-triphenylphosphanium.
What is the SMILES notation for [[dimethyl(phenylimino)-λ5-phosphanyl]-(triphenyl-λ5-phosphanylidene)methyl]-triphenylphosphanium?
The canonical SMILES for [[dimethyl(phenylimino)-λ5-phosphanyl]-(triphenyl-λ5-phosphanylidene)methyl]-triphenylphosphanium is CP(C)(=Nc1ccccc1)C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [[dimethyl(phenylimino)-λ5-phosphanyl]-(triphenyl-λ5-phosphanylidene)methyl]-triphenylphosphanium?
The InChIKey is NLKBJKUEICYRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H41NP3/c1-47(2,46-38-24-10-3-11-25-38)45(48(39-26-12-4-13-27-39,40-28-14-5-15-29-40)41-30-16-6-17-31-41)49(42-32-18-7-19-33-42,43-34-20-8-21-35-43)44-36-22-9-23-37-44/h3-37H,1-2H3/q+1.
What are the key properties of [[dimethyl(phenylimino)-λ5-phosphanyl]-(triphenyl-λ5-phosphanylidene)methyl]-triphenylphosphanium?
[[dimethyl(phenylimino)-λ5-phosphanyl]-(triphenyl-λ5-phosphanylidene)methyl]-triphenylphosphanium has a molecular weight of 688.75 g/mol, XLogP of 9.85, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[dimethyl(phenylimino)-λ5-phosphanyl]-(triphenyl-λ5-phosphanylidene)methyl]-triphenylphosphanium is sourced from PubChem (CID 45146332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).