2-[[(1R)-1-naphthalen-1-ylethyl]iminomethyl]-4-phenyldiazenylphenol

C25H21N3O — CID 136745252

IUPAC2-[[(1R)-1-naphthalen-1-ylethyl]iminomethyl]-4-phenyldiazenylphenol
SMILESC[C@@H](/N=C/c1cc(/N=N/c2ccccc2)ccc1O)c1cccc2ccccc12
InChIInChI=1S/C25H21N3O/c1-18(23-13-7-9-19-8-5-6-12-24(19)23)26-17-20-16-22(14-15-25(20)29)28-27-21-10-3-2-4-11-21/h2-18,29H,1H3/b26-17+,28-27+/t18-/m1/s1
InChIKeyNBQFVZIBNYAZNX-GGLJFVJMSA-N
MW379.46 g/mol
LogP7.14
Rot. Bonds5

About 2-[[(1R)-1-naphthalen-1-ylethyl]iminomethyl]-4-phenyldiazenylphenol

2-[[(1R)-1-naphthalen-1-ylethyl]iminomethyl]-4-phenyldiazenylphenol (PubChem CID 136745252) has the molecular formula C25H21N3O and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-[[(1R)-1-naphthalen-1-ylethyl]iminomethyl]-4-phenyldiazenylphenol.

Molecular Properties

Compound Name2-[[(1R)-1-naphthalen-1-ylethyl]iminomethyl]-4-phenyldiazenylphenol
PubChem CID136745252
Molecular FormulaC25H21N3O
Molecular Weight379.46 g/mol
Exact Mass379.17
IUPAC Name2-[[(1R)-1-naphthalen-1-ylethyl]iminomethyl]-4-phenyldiazenylphenol
SMILESC[C@@H](/N=C/c1cc(/N=N/c2ccccc2)ccc1O)c1cccc2ccccc12
InChIInChI=1S/C25H21N3O/c1-18(23-13-7-9-19-8-5-6-12-24(19)23)26-17-20-16-22(14-15-25(20)29)28-27-21-10-3-2-4-11-21/h2-18,29H,1H3/b26-17+,28-27+/t18-/m1/s1
InChIKeyNBQFVZIBNYAZNX-GGLJFVJMSA-N
XLogP7.14
TPSA57.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-naphthalen-1-ylethyl]-1-phenylmethanimine
CID 139081062
2-methanehydrazonoyl-4-phenyldiazenylphenol
CID 168531348
2-[[3-[(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-phenyldiazenylphenol
CID 136823529
4-phenyldiazenyl-2-[(4-propan-2-ylphenyl)iminomethyl]phenol
CID 137158226
1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]methanimine
CID 10637187
1-naphthalen-2-yl-N-[(1S)-1-naphthalen-1-ylethyl]methanimine
CID 139062261
copper;bis(3-[[(1S)-1-(2-diphenylphosphanylphenyl)ethyl]iminomethyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol)
CID 139213573
N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]acetamide
CID 137023077
5-(hydroxymethyl)-2-methyl-4-[[(1R)-1-naphthalen-1-ylethyl]iminomethyl]pyridin-3-ol
CID 135828935
3-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-2-ol
CID 136773252
palladium;bis(2-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-1-ol)
CID 139246617
4-amino-N-[(Z)-[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylideneamino]benzamide
CID 135464584

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-naphthalen-1-ylethyl]iminomethyl]-4-phenyldiazenylphenol?
The IUPAC name of 2-[[(1R)-1-naphthalen-1-ylethyl]iminomethyl]-4-phenyldiazenylphenol (CID 136745252) is 2-[[(1R)-1-naphthalen-1-ylethyl]iminomethyl]-4-phenyldiazenylphenol.
What is the SMILES notation for 2-[[(1R)-1-naphthalen-1-ylethyl]iminomethyl]-4-phenyldiazenylphenol?
The canonical SMILES for 2-[[(1R)-1-naphthalen-1-ylethyl]iminomethyl]-4-phenyldiazenylphenol is C[C@@H](/N=C/c1cc(/N=N/c2ccccc2)ccc1O)c1cccc2ccccc12.
What is the InChIKey of 2-[[(1R)-1-naphthalen-1-ylethyl]iminomethyl]-4-phenyldiazenylphenol?
The InChIKey is NBQFVZIBNYAZNX-GGLJFVJMSA-N. The full InChI is InChI=1S/C25H21N3O/c1-18(23-13-7-9-19-8-5-6-12-24(19)23)26-17-20-16-22(14-15-25(20)29)28-27-21-10-3-2-4-11-21/h2-18,29H,1H3/b26-17+,28-27+/t18-/m1/s1.
What are the key properties of 2-[[(1R)-1-naphthalen-1-ylethyl]iminomethyl]-4-phenyldiazenylphenol?
2-[[(1R)-1-naphthalen-1-ylethyl]iminomethyl]-4-phenyldiazenylphenol has a molecular weight of 379.46 g/mol, XLogP of 7.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-naphthalen-1-ylethyl]iminomethyl]-4-phenyldiazenylphenol is sourced from PubChem (CID 136745252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).