1-[[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol

C27H21N2O3P — CID 2325850

IUPAC1-[[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol
SMILESO=P1(NN=Cc2c(O)ccc3ccccc23)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C27H21N2O3P/c30-25-16-15-20-9-7-8-14-23(20)24(25)17-28-29-33(31)18-26(21-10-3-1-4-11-21)32-27(19-33)22-12-5-2-6-13-22/h1-19,30H,(H,29,31)
InChIKeyDJAIYFTYDREJHD-UHFFFAOYSA-N
MW452.45 g/mol
LogP6.77
Rot. Bonds5

About 1-[[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol

1-[[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol (PubChem CID 2325850) has the molecular formula C27H21N2O3P and a molecular weight of 452.45 g/mol. Its IUPAC name is 1-[[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol
PubChem CID2325850
Molecular FormulaC27H21N2O3P
Molecular Weight452.45 g/mol
Exact Mass452.13
IUPAC Name1-[[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol
SMILESO=P1(NN=Cc2c(O)ccc3ccccc23)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C27H21N2O3P/c30-25-16-15-20-9-7-8-14-23(20)24(25)17-28-29-33(31)18-26(21-10-3-1-4-11-21)32-27(19-33)22-12-5-2-6-13-22/h1-19,30H,(H,29,31)
InChIKeyDJAIYFTYDREJHD-UHFFFAOYSA-N
XLogP6.77
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.45
LogP ≤ 56.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-Naphthalenecarboxaldehyde, 2-hydroxy-, [(2-hydroxy-1-naphthalenyl)methylene]hydrazone
CID 135444602
Alpha,alpha'-(ethylenedinitrilo)-bis-(1-methyl-2-naphthol)
CID 482314
2-Hydroxynaphthalene-1-carbaldehyde ((2-hydroxy-1-naphthyl)methylene)hydrazone
CID 75433
1-[[(2-Hydroxyphenyl)methylidenehydrazinylidene]methyl]naphthalen-2-ol
CID 274061
1-{(E)-[(2E)-(4-methoxybenzylidene)hydrazinylidene]methyl}naphthalen-2-ol
CID 135549426
(1Z)-1-[[2-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]methylidene]naphthalen-2-one
CID 135478792
1-[(1E,9E)-10-(2-hydroxynaphthyl)-2,9-diazadeca-1,9-dienyl]naphthalen-2-ol
CID 4037659
N,N'-bis(2-hydroxynaphthylmethylidene)-1,3-propanediamine
CID 5254937
(E)-1-(2-methoxynaphthalen-1-yl)-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]methanimine
CID 9560783
Bis[(2-hydroxynaphthalen-1-yl)methylidene]azanium
CID 91048561
(4-Hydroxynaphthalen-1-yl)methylidene-[4-[(4-hydroxynaphthalen-1-yl)methylideneazaniumylidene]butylidene]azanium
CID 91290790
1-[(E)-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]methyl]naphthalen-2-ol
CID 135851849

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol (CID 2325850) is 1-[[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol is O=P1(NN=Cc2c(O)ccc3ccccc23)C=C(c2ccccc2)OC(c2ccccc2)=C1.
What is the InChIKey of 1-[[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol?
The InChIKey is DJAIYFTYDREJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N2O3P/c30-25-16-15-20-9-7-8-14-23(20)24(25)17-28-29-33(31)18-26(21-10-3-1-4-11-21)32-27(19-33)22-12-5-2-6-13-22/h1-19,30H,(H,29,31).
What are the key properties of 1-[[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol?
1-[[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol has a molecular weight of 452.45 g/mol, XLogP of 6.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol is sourced from PubChem (CID 2325850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).