7-amino-2-[(4-aminophenyl)diazenyl]naphthalen-1-ol

C16H14N4O — CID 175748913

IUPAC7-amino-2-[(4-aminophenyl)diazenyl]naphthalen-1-ol
SMILESNc1ccc(/N=N/c2ccc3ccc(N)cc3c2O)cc1
InChIInChI=1S/C16H14N4O/c17-11-4-6-13(7-5-11)19-20-15-8-2-10-1-3-12(18)9-14(10)16(15)21/h1-9,21H,17-18H2/b20-19+
InChIKeyVVLWAGOTFYAEJS-FMQUCBEESA-N
MW278.31 g/mol
LogP4.13
Rot. Bonds2

About 7-amino-2-[(4-aminophenyl)diazenyl]naphthalen-1-ol

7-amino-2-[(4-aminophenyl)diazenyl]naphthalen-1-ol (PubChem CID 175748913) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 7-amino-2-[(4-aminophenyl)diazenyl]naphthalen-1-ol.

Molecular Properties

Compound Name7-amino-2-[(4-aminophenyl)diazenyl]naphthalen-1-ol
PubChem CID175748913
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name7-amino-2-[(4-aminophenyl)diazenyl]naphthalen-1-ol
SMILESNc1ccc(/N=N/c2ccc3ccc(N)cc3c2O)cc1
InChIInChI=1S/C16H14N4O/c17-11-4-6-13(7-5-11)19-20-15-8-2-10-1-3-12(18)9-14(10)16(15)21/h1-9,21H,17-18H2/b20-19+
InChIKeyVVLWAGOTFYAEJS-FMQUCBEESA-N
XLogP4.13
TPSA96.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-[(4-aminophenyl)diazenyl]-5-methylnaphthalen-1-ol
CID 136752195
6-[(2,4-diaminophenyl)diazenyl]-3-[[4-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 136917429
2-[(4-bromophenyl)diazenyl]naphthalen-1-ol
CID 3802677
6-methyl-2-[(4-methylphenyl)diazenyl]naphthalen-1-ol
CID 136606671
[7-[(4-amino-2-nitrophenyl)diazenyl]-8-hydroxynaphthalen-2-yl]-trimethylazanium
CID 135858844
4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]aniline
CID 88557770
8-amino-2,7-bis(phenyldiazenyl)naphthalen-1-ol
CID 135815835
6-amino-4-hydroxy-3-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]naphthalene-1-sulfonate
CID 135831324
sodium 6-amino-3-[[4-[4-[(7-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-3-ethoxyphenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
CID 135421948
7-amino-2-[(7-methyl-4-phenyldiazenylnaphthalen-1-yl)diazenyl]-3-(trihydroxy-λ4-sulfanyl)naphthalen-1-ol
CID 135968686
6-amino-4-hydroxy-3-[[4-[(4-phenyldiazenyl-6-sulfonaphthalen-1-yl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid
CID 4189029
5-[[7-[(2,4-diaminophenyl)diazenyl]-1-hydroxy-3-methylnaphthalen-2-yl]diazenyl]-2-[4-[[7-[(2,4-diaminophenyl)diazenyl]-1-hydroxynaphthalen-2-yl]diazenyl]anilino]benzenesulfonic acid
CID 135587698

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-[(4-aminophenyl)diazenyl]naphthalen-1-ol?
The IUPAC name of 7-amino-2-[(4-aminophenyl)diazenyl]naphthalen-1-ol (CID 175748913) is 7-amino-2-[(4-aminophenyl)diazenyl]naphthalen-1-ol.
What is the SMILES notation for 7-amino-2-[(4-aminophenyl)diazenyl]naphthalen-1-ol?
The canonical SMILES for 7-amino-2-[(4-aminophenyl)diazenyl]naphthalen-1-ol is Nc1ccc(/N=N/c2ccc3ccc(N)cc3c2O)cc1.
What is the InChIKey of 7-amino-2-[(4-aminophenyl)diazenyl]naphthalen-1-ol?
The InChIKey is VVLWAGOTFYAEJS-FMQUCBEESA-N. The full InChI is InChI=1S/C16H14N4O/c17-11-4-6-13(7-5-11)19-20-15-8-2-10-1-3-12(18)9-14(10)16(15)21/h1-9,21H,17-18H2/b20-19+.
What are the key properties of 7-amino-2-[(4-aminophenyl)diazenyl]naphthalen-1-ol?
7-amino-2-[(4-aminophenyl)diazenyl]naphthalen-1-ol has a molecular weight of 278.31 g/mol, XLogP of 4.13, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-[(4-aminophenyl)diazenyl]naphthalen-1-ol is sourced from PubChem (CID 175748913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).