8-amino-2,7-bis(phenyldiazenyl)naphthalen-1-ol

C22H17N5O — CID 135815835

IUPAC8-amino-2,7-bis(phenyldiazenyl)naphthalen-1-ol
SMILESNc1c(/N=N/c2ccccc2)ccc2ccc(/N=N/c3ccccc3)c(O)c12
InChIInChI=1S/C22H17N5O/c23-21-18(26-24-16-7-3-1-4-8-16)13-11-15-12-14-19(22(28)20(15)21)27-25-17-9-5-2-6-10-17/h1-14,28H,23H2/b26-24+,27-25+
InChIKeyDJODGHWJSQHHPD-OWUYFMIJSA-N
MW367.41 g/mol
LogP6.96
Rot. Bonds4

About 8-amino-2,7-bis(phenyldiazenyl)naphthalen-1-ol

8-amino-2,7-bis(phenyldiazenyl)naphthalen-1-ol (PubChem CID 135815835) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is 8-amino-2,7-bis(phenyldiazenyl)naphthalen-1-ol.

Molecular Properties

Compound Name8-amino-2,7-bis(phenyldiazenyl)naphthalen-1-ol
PubChem CID135815835
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name8-amino-2,7-bis(phenyldiazenyl)naphthalen-1-ol
SMILESNc1c(/N=N/c2ccccc2)ccc2ccc(/N=N/c3ccccc3)c(O)c12
InChIInChI=1S/C22H17N5O/c23-21-18(26-24-16-7-3-1-4-8-16)13-11-15-12-14-19(22(28)20(15)21)27-25-17-9-5-2-6-10-17/h1-14,28H,23H2/b26-24+,27-25+
InChIKeyDJODGHWJSQHHPD-OWUYFMIJSA-N
XLogP6.96
TPSA95.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.41
LogP ≤ 56.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-amino-2,7-bis(phenyldiazenyl)naphthalen-1-ol?
The IUPAC name of 8-amino-2,7-bis(phenyldiazenyl)naphthalen-1-ol (CID 135815835) is 8-amino-2,7-bis(phenyldiazenyl)naphthalen-1-ol.
What is the SMILES notation for 8-amino-2,7-bis(phenyldiazenyl)naphthalen-1-ol?
The canonical SMILES for 8-amino-2,7-bis(phenyldiazenyl)naphthalen-1-ol is Nc1c(/N=N/c2ccccc2)ccc2ccc(/N=N/c3ccccc3)c(O)c12.
What is the InChIKey of 8-amino-2,7-bis(phenyldiazenyl)naphthalen-1-ol?
The InChIKey is DJODGHWJSQHHPD-OWUYFMIJSA-N. The full InChI is InChI=1S/C22H17N5O/c23-21-18(26-24-16-7-3-1-4-8-16)13-11-15-12-14-19(22(28)20(15)21)27-25-17-9-5-2-6-10-17/h1-14,28H,23H2/b26-24+,27-25+.
What are the key properties of 8-amino-2,7-bis(phenyldiazenyl)naphthalen-1-ol?
8-amino-2,7-bis(phenyldiazenyl)naphthalen-1-ol has a molecular weight of 367.41 g/mol, XLogP of 6.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2,7-bis(phenyldiazenyl)naphthalen-1-ol is sourced from PubChem (CID 135815835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).