1-[[3-amino-4-[bis(pyridin-2-ylmethyl)amino]phenyl]diazenyl]naphthalene-2,6-diol

C28H24N6O2 — CID 146350312

About 1-[[3-amino-4-[bis(pyridin-2-ylmethyl)amino]phenyl]diazenyl]naphthalene-2,6-diol

1-[[3-amino-4-[bis(pyridin-2-ylmethyl)amino]phenyl]diazenyl]naphthalene-2,6-diol (PubChem CID 146350312) has the molecular formula C28H24N6O2 and a molecular weight of 476.54 g/mol. Its IUPAC name is 1-[[3-amino-4-[bis(pyridin-2-ylmethyl)amino]phenyl]diazenyl]naphthalene-2,6-diol.

Molecular Properties

• Compound Name: 1-[[3-amino-4-[bis(pyridin-2-ylmethyl)amino]phenyl]diazenyl]naphthalene-2,6-diol
• PubChem CID: 146350312
• Molecular Formula: C28H24N6O2
• Molecular Weight: 476.54 g/mol
• Exact Mass: 476.20
• IUPAC Name: 1-[[3-amino-4-[bis(pyridin-2-ylmethyl)amino]phenyl]diazenyl]naphthalene-2,6-diol
• SMILES: Nc1cc(/N=N/c2c(O)ccc3cc(O)ccc23)ccc1N(Cc1ccccn1)Cc1ccccn1
• InChI: InChI=1S/C28H24N6O2/c29-25-16-20(32-33-28-24-10-9-23(35)15-19(24)7-12-27(28)36)8-11-26(25)34(17-21-5-1-3-13-30-21)18-22-6-2-4-14-31-22/h1-16,35-36H,17-18,29H2/b33-32+
• InChIKey: YRVJIZFJLWWRGK-ULIFNZDWSA-N
• XLogP: 6.25
• TPSA: 120.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.54
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[[3-amino-4-[bis(pyridin-2-ylmethyl)amino]phenyl]diazenyl]naphthalene-2,6-diol?

The IUPAC name of 1-[[3-amino-4-[bis(pyridin-2-ylmethyl)amino]phenyl]diazenyl]naphthalene-2,6-diol (CID 146350312) is 1-[[3-amino-4-[bis(pyridin-2-ylmethyl)amino]phenyl]diazenyl]naphthalene-2,6-diol.

What is the SMILES notation for 1-[[3-amino-4-[bis(pyridin-2-ylmethyl)amino]phenyl]diazenyl]naphthalene-2,6-diol?

The canonical SMILES for 1-[[3-amino-4-[bis(pyridin-2-ylmethyl)amino]phenyl]diazenyl]naphthalene-2,6-diol is Nc1cc(/N=N/c2c(O)ccc3cc(O)ccc23)ccc1N(Cc1ccccn1)Cc1ccccn1.

What is the InChIKey of 1-[[3-amino-4-[bis(pyridin-2-ylmethyl)amino]phenyl]diazenyl]naphthalene-2,6-diol?

The InChIKey is YRVJIZFJLWWRGK-ULIFNZDWSA-N. The full InChI is InChI=1S/C28H24N6O2/c29-25-16-20(32-33-28-24-10-9-23(35)15-19(24)7-12-27(28)36)8-11-26(25)34(17-21-5-1-3-13-30-21)18-22-6-2-4-14-31-22/h1-16,35-36H,17-18,29H2/b33-32+.

What are the key properties of 1-[[3-amino-4-[bis(pyridin-2-ylmethyl)amino]phenyl]diazenyl]naphthalene-2,6-diol?

1-[[3-amino-4-[bis(pyridin-2-ylmethyl)amino]phenyl]diazenyl]naphthalene-2,6-diol has a molecular weight of 476.54 g/mol, XLogP of 6.25, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-amino-4-[bis(pyridin-2-ylmethyl)amino]phenyl]diazenyl]naphthalene-2,6-diol is sourced from PubChem (CID 146350312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).