2-[(4-chloro-2-diphenylphosphanylphenyl)iminomethyl]-6-phenylphenol

C31H23ClNOP — CID 140560518

IUPAC2-[(4-chloro-2-diphenylphosphanylphenyl)iminomethyl]-6-phenylphenol
SMILESOc1c(/C=N/c2ccc(Cl)cc2P(c2ccccc2)c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C31H23ClNOP/c32-25-19-20-29(33-22-24-13-10-18-28(31(24)34)23-11-4-1-5-12-23)30(21-25)35(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-22,34H/b33-22+
InChIKeyNERSPMXCZFZPNF-STKMKYKTSA-N
MW491.96 g/mol
LogP7.22
Rot. Bonds6

About 2-[(4-chloro-2-diphenylphosphanylphenyl)iminomethyl]-6-phenylphenol

2-[(4-chloro-2-diphenylphosphanylphenyl)iminomethyl]-6-phenylphenol (PubChem CID 140560518) has the molecular formula C31H23ClNOP and a molecular weight of 491.96 g/mol. Its IUPAC name is 2-[(4-chloro-2-diphenylphosphanylphenyl)iminomethyl]-6-phenylphenol.

Molecular Properties

Compound Name2-[(4-chloro-2-diphenylphosphanylphenyl)iminomethyl]-6-phenylphenol
PubChem CID140560518
Molecular FormulaC31H23ClNOP
Molecular Weight491.96 g/mol
Exact Mass491.12
IUPAC Name2-[(4-chloro-2-diphenylphosphanylphenyl)iminomethyl]-6-phenylphenol
SMILESOc1c(/C=N/c2ccc(Cl)cc2P(c2ccccc2)c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C31H23ClNOP/c32-25-19-20-29(33-22-24-13-10-18-28(31(24)34)23-11-4-1-5-12-23)30(21-25)35(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-22,34H/b33-22+
InChIKeyNERSPMXCZFZPNF-STKMKYKTSA-N
XLogP7.22
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.96
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-diphenylphosphanylphenyl)iminomethyl]-6-phenylphenol?
The IUPAC name of 2-[(4-chloro-2-diphenylphosphanylphenyl)iminomethyl]-6-phenylphenol (CID 140560518) is 2-[(4-chloro-2-diphenylphosphanylphenyl)iminomethyl]-6-phenylphenol.
What is the SMILES notation for 2-[(4-chloro-2-diphenylphosphanylphenyl)iminomethyl]-6-phenylphenol?
The canonical SMILES for 2-[(4-chloro-2-diphenylphosphanylphenyl)iminomethyl]-6-phenylphenol is Oc1c(/C=N/c2ccc(Cl)cc2P(c2ccccc2)c2ccccc2)cccc1-c1ccccc1.
What is the InChIKey of 2-[(4-chloro-2-diphenylphosphanylphenyl)iminomethyl]-6-phenylphenol?
The InChIKey is NERSPMXCZFZPNF-STKMKYKTSA-N. The full InChI is InChI=1S/C31H23ClNOP/c32-25-19-20-29(33-22-24-13-10-18-28(31(24)34)23-11-4-1-5-12-23)30(21-25)35(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-22,34H/b33-22+.
What are the key properties of 2-[(4-chloro-2-diphenylphosphanylphenyl)iminomethyl]-6-phenylphenol?
2-[(4-chloro-2-diphenylphosphanylphenyl)iminomethyl]-6-phenylphenol has a molecular weight of 491.96 g/mol, XLogP of 7.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-diphenylphosphanylphenyl)iminomethyl]-6-phenylphenol is sourced from PubChem (CID 140560518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).