2-[[3-[(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-phenyldiazenylphenol

C36H26N6O2 — CID 136823529

IUPAC2-[[3-[(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-phenyldiazenylphenol
SMILESOc1ccc(/N=N/c2ccccc2)cc1/C=N/c1cc2ccccc2cc1/N=C/c1cc(/N=N/c2ccccc2)ccc1O
InChIInChI=1S/C36H26N6O2/c43-35-17-15-31(41-39-29-11-3-1-4-12-29)19-27(35)23-37-33-21-25-9-7-8-10-26(25)22-34(33)38-24-28-20-32(16-18-36(28)44)42-40-30-13-5-2-6-14-30/h1-24,43-44H/b37-23+,38-24+,41-39+,42-40+
InChIKeyFBDCGUFJUCECKO-YAJSAWQBSA-N
MW574.64 g/mol
LogP10.58
Rot. Bonds8

About 2-[[3-[(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-phenyldiazenylphenol

2-[[3-[(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-phenyldiazenylphenol (PubChem CID 136823529) has the molecular formula C36H26N6O2 and a molecular weight of 574.64 g/mol. Its IUPAC name is 2-[[3-[(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-phenyldiazenylphenol.

Molecular Properties

Compound Name2-[[3-[(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-phenyldiazenylphenol
PubChem CID136823529
Molecular FormulaC36H26N6O2
Molecular Weight574.64 g/mol
Exact Mass574.21
IUPAC Name2-[[3-[(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-phenyldiazenylphenol
SMILESOc1ccc(/N=N/c2ccccc2)cc1/C=N/c1cc2ccccc2cc1/N=C/c1cc(/N=N/c2ccccc2)ccc1O
InChIInChI=1S/C36H26N6O2/c43-35-17-15-31(41-39-29-11-3-1-4-12-29)19-27(35)23-37-33-21-25-9-7-8-10-26(25)22-34(33)38-24-28-20-32(16-18-36(28)44)42-40-30-13-5-2-6-14-30/h1-24,43-44H/b37-23+,38-24+,41-39+,42-40+
InChIKeyFBDCGUFJUCECKO-YAJSAWQBSA-N
XLogP10.58
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.64
LogP ≤ 510.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

2-methanehydrazonoyl-4-phenyldiazenylphenol
CID 168531348
2-[[3-[(2-hydroxy-5-methylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-methylphenol
CID 137037421
4-phenyldiazenyl-2-[(4-propan-2-ylphenyl)iminomethyl]phenol
CID 137158226
4-(1,3-benzothiazol-2-yldiazenyl)-2-[(5-hydroxy-2-phenyldiazenylphenyl)iminomethyl]phenol
CID 135428392
2-[[3-[(2-hydroxy-5-propan-2-ylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-propan-2-ylphenol
CID 137071368
2-[(4-amino-1,2,5-oxadiazol-3-yl)iminomethyl]-4-phenyldiazenylphenol
CID 136790243
2-[[4-hydroxy-3-[(4-methoxyphenyl)iminomethyl]phenyl]diazenyl]benzoic acid
CID 136901151
2-[[(1R)-1-naphthalen-1-ylethyl]iminomethyl]-4-phenyldiazenylphenol
CID 136745252
2-[[5-[(3-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-6-methylphenol
CID 135810322
N-[(Z)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]acetamide
CID 137023077
4-[(4-phenyldiazenylphenyl)iminomethyl]benzene-1,2,3-triol
CID 136719331
4-[(4-fluorophenyl)diazenyl]-2-[[2-[[2-[[2-[[5-[(4-fluorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]phenyl]sulfanylmethyl]phenyl]methylsulfanyl]phenyl]iminomethyl]phenol
CID 136870008

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-phenyldiazenylphenol?
The IUPAC name of 2-[[3-[(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-phenyldiazenylphenol (CID 136823529) is 2-[[3-[(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-phenyldiazenylphenol.
What is the SMILES notation for 2-[[3-[(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-phenyldiazenylphenol?
The canonical SMILES for 2-[[3-[(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-phenyldiazenylphenol is Oc1ccc(/N=N/c2ccccc2)cc1/C=N/c1cc2ccccc2cc1/N=C/c1cc(/N=N/c2ccccc2)ccc1O.
What is the InChIKey of 2-[[3-[(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-phenyldiazenylphenol?
The InChIKey is FBDCGUFJUCECKO-YAJSAWQBSA-N. The full InChI is InChI=1S/C36H26N6O2/c43-35-17-15-31(41-39-29-11-3-1-4-12-29)19-27(35)23-37-33-21-25-9-7-8-10-26(25)22-34(33)38-24-28-20-32(16-18-36(28)44)42-40-30-13-5-2-6-14-30/h1-24,43-44H/b37-23+,38-24+,41-39+,42-40+.
What are the key properties of 2-[[3-[(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-phenyldiazenylphenol?
2-[[3-[(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-phenyldiazenylphenol has a molecular weight of 574.64 g/mol, XLogP of 10.58, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-phenyldiazenylphenol is sourced from PubChem (CID 136823529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).