benzyl-[benzylimino(diphenyl)-λ5-phosphanyl]-diphenylphosphanium chloride

C38H34ClNP2 — CID 71300681

IUPACbenzyl-[benzylimino(diphenyl)-λ5-phosphanyl]-diphenylphosphanium chloride
SMILES[Cl-].c1ccc(CN=P(c2ccccc2)(c2ccccc2)[P+](Cc2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H34NP2.ClH/c1-7-19-33(20-8-1)31-39-41(37-27-15-5-16-28-37,38-29-17-6-18-30-38)40(35-23-11-3-12-24-35,36-25-13-4-14-26-36)32-34-21-9-2-10-22-34;/h1-30H,31-32H2;1H/q+1;/p-1
InChIKeySMAZIDKKQHMUQH-UHFFFAOYSA-M
MW602.10 g/mol
LogP5.83
Rot. Bonds9

About benzyl-[benzylimino(diphenyl)-λ5-phosphanyl]-diphenylphosphanium chloride

benzyl-[benzylimino(diphenyl)-λ5-phosphanyl]-diphenylphosphanium chloride (PubChem CID 71300681) has the molecular formula C38H34ClNP2 and a molecular weight of 602.10 g/mol. Its IUPAC name is benzyl-[benzylimino(diphenyl)-λ5-phosphanyl]-diphenylphosphanium chloride.

Molecular Properties

Compound Namebenzyl-[benzylimino(diphenyl)-λ5-phosphanyl]-diphenylphosphanium chloride
PubChem CID71300681
Molecular FormulaC38H34ClNP2
Molecular Weight602.10 g/mol
Exact Mass601.19
IUPAC Namebenzyl-[benzylimino(diphenyl)-λ5-phosphanyl]-diphenylphosphanium chloride
SMILES[Cl-].c1ccc(CN=P(c2ccccc2)(c2ccccc2)[P+](Cc2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H34NP2.ClH/c1-7-19-33(20-8-1)31-39-41(37-27-15-5-16-28-37,38-29-17-6-18-30-38)40(35-23-11-3-12-24-35,36-25-13-4-14-26-36)32-34-21-9-2-10-22-34;/h1-30H,31-32H2;1H/q+1;/p-1
InChIKeySMAZIDKKQHMUQH-UHFFFAOYSA-M
XLogP5.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.10
LogP ≤ 55.83
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 benzyl-[benzylimino(diphenyl)-λ5-phosphanyl]-diphenylphosphanium chloride?
The IUPAC name of benzyl-[benzylimino(diphenyl)-λ5-phosphanyl]-diphenylphosphanium chloride (CID 71300681) is benzyl-[benzylimino(diphenyl)-λ5-phosphanyl]-diphenylphosphanium chloride.
What is the SMILES notation for benzyl-[benzylimino(diphenyl)-λ5-phosphanyl]-diphenylphosphanium chloride?
The canonical SMILES for benzyl-[benzylimino(diphenyl)-λ5-phosphanyl]-diphenylphosphanium chloride is [Cl-].c1ccc(CN=P(c2ccccc2)(c2ccccc2)[P+](Cc2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of benzyl-[benzylimino(diphenyl)-λ5-phosphanyl]-diphenylphosphanium chloride?
The InChIKey is SMAZIDKKQHMUQH-UHFFFAOYSA-M. The full InChI is InChI=1S/C38H34NP2.ClH/c1-7-19-33(20-8-1)31-39-41(37-27-15-5-16-28-37,38-29-17-6-18-30-38)40(35-23-11-3-12-24-35,36-25-13-4-14-26-36)32-34-21-9-2-10-22-34;/h1-30H,31-32H2;1H/q+1;/p-1.
What are the key properties of benzyl-[benzylimino(diphenyl)-λ5-phosphanyl]-diphenylphosphanium chloride?
benzyl-[benzylimino(diphenyl)-λ5-phosphanyl]-diphenylphosphanium chloride has a molecular weight of 602.10 g/mol, XLogP of 5.83, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[benzylimino(diphenyl)-λ5-phosphanyl]-diphenylphosphanium chloride is sourced from PubChem (CID 71300681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).