5-bromo-2-[(2-diphenylphosphanylphenyl)iminomethyl]phenol

C25H19BrNOP — CID 136784137

IUPAC5-bromo-2-[(2-diphenylphosphanylphenyl)iminomethyl]phenol
SMILESOc1cc(Br)ccc1/C=N/c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H19BrNOP/c26-20-16-15-19(24(28)17-20)18-27-23-13-7-8-14-25(23)29(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-18,28H/b27-18+
InChIKeyIGSAWJCAJNVIGD-OVVQPSECSA-N
MW460.31 g/mol
LogP5.66
Rot. Bonds5

About 5-bromo-2-[(2-diphenylphosphanylphenyl)iminomethyl]phenol

5-bromo-2-[(2-diphenylphosphanylphenyl)iminomethyl]phenol (PubChem CID 136784137) has the molecular formula C25H19BrNOP and a molecular weight of 460.31 g/mol. Its IUPAC name is 5-bromo-2-[(2-diphenylphosphanylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name5-bromo-2-[(2-diphenylphosphanylphenyl)iminomethyl]phenol
PubChem CID136784137
Molecular FormulaC25H19BrNOP
Molecular Weight460.31 g/mol
Exact Mass459.04
IUPAC Name5-bromo-2-[(2-diphenylphosphanylphenyl)iminomethyl]phenol
SMILESOc1cc(Br)ccc1/C=N/c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H19BrNOP/c26-20-16-15-19(24(28)17-20)18-27-23-13-7-8-14-25(23)29(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-18,28H/b27-18+
InChIKeyIGSAWJCAJNVIGD-OVVQPSECSA-N
XLogP5.66
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.31
LogP ≤ 55.66
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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Related Compounds

N-(2-diphenylphosphanylphenyl)-1-phenylmethanimine
CID 10995682
N-(2-diphenylphosphanylphenyl)-1-phenylmethanimine
CID 139103390
2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;vanadium;hydrate
CID 171376264
chromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate
CID 139236258
5-bromo-2-(quinolin-8-yliminomethyl)phenol
CID 137082979
1-[2-bis(2-methoxyphenyl)phosphanylphenyl]-N-(2-diphenylphosphanylphenyl)methanimine
CID 101383931
4-bromo-2-[[2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]disulfanyl]phenyl]iminomethyl]phenol
CID 136825488
zinc 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534569
copper 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534570
5-bromo-2-[2-[(4-bromo-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 3089504
5-bromo-2-[(Z)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol
CID 135489146
[2-[2-(2,5-dibromophenyl)ethenyl]phenyl]-diphenylphosphane
CID 76623514

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-diphenylphosphanylphenyl)iminomethyl]phenol?
The IUPAC name of 5-bromo-2-[(2-diphenylphosphanylphenyl)iminomethyl]phenol (CID 136784137) is 5-bromo-2-[(2-diphenylphosphanylphenyl)iminomethyl]phenol.
What is the SMILES notation for 5-bromo-2-[(2-diphenylphosphanylphenyl)iminomethyl]phenol?
The canonical SMILES for 5-bromo-2-[(2-diphenylphosphanylphenyl)iminomethyl]phenol is Oc1cc(Br)ccc1/C=N/c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-bromo-2-[(2-diphenylphosphanylphenyl)iminomethyl]phenol?
The InChIKey is IGSAWJCAJNVIGD-OVVQPSECSA-N. The full InChI is InChI=1S/C25H19BrNOP/c26-20-16-15-19(24(28)17-20)18-27-23-13-7-8-14-25(23)29(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-18,28H/b27-18+.
What are the key properties of 5-bromo-2-[(2-diphenylphosphanylphenyl)iminomethyl]phenol?
5-bromo-2-[(2-diphenylphosphanylphenyl)iminomethyl]phenol has a molecular weight of 460.31 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-diphenylphosphanylphenyl)iminomethyl]phenol is sourced from PubChem (CID 136784137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).