1-[[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol

C26H21N7O — CID 3092798

IUPAC1-[[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C=NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C26H21N7O/c34-23-16-15-18-9-7-8-14-21(18)22(23)17-27-33-26-31-24(28-19-10-3-1-4-11-19)30-25(32-26)29-20-12-5-2-6-13-20/h1-17,34H,(H3,28,29,30,31,32,33)
InChIKeyJFIAYZDAWAEUOS-UHFFFAOYSA-N
MW447.50 g/mol
LogP5.66
Rot. Bonds7

About 1-[[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol

1-[[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol (PubChem CID 3092798) has the molecular formula C26H21N7O and a molecular weight of 447.50 g/mol. Its IUPAC name is 1-[[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol
PubChem CID3092798
Molecular FormulaC26H21N7O
Molecular Weight447.50 g/mol
Exact Mass447.18
IUPAC Name1-[[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C=NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C26H21N7O/c34-23-16-15-18-9-7-8-14-21(18)22(23)17-27-33-26-31-24(28-19-10-3-1-4-11-19)30-25(32-26)29-20-12-5-2-6-13-20/h1-17,34H,(H3,28,29,30,31,32,33)
InChIKeyJFIAYZDAWAEUOS-UHFFFAOYSA-N
XLogP5.66
TPSA107.35 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.50
LogP ≤ 55.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol (CID 3092798) is 1-[[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol is Oc1ccc2ccccc2c1C=NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1.
What is the InChIKey of 1-[[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol?
The InChIKey is JFIAYZDAWAEUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N7O/c34-23-16-15-18-9-7-8-14-21(18)22(23)17-27-33-26-31-24(28-19-10-3-1-4-11-19)30-25(32-26)29-20-12-5-2-6-13-20/h1-17,34H,(H3,28,29,30,31,32,33).
What are the key properties of 1-[[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol?
1-[[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol has a molecular weight of 447.50 g/mol, XLogP of 5.66, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol is sourced from PubChem (CID 3092798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).