3-[(E)-[(E)-anthracen-9-ylmethylidenehydrazinylidene]methyl]naphthalen-2-ol

C26H18N2O — CID 135549556

IUPAC3-[(E)-[(E)-anthracen-9-ylmethylidenehydrazinylidene]methyl]naphthalen-2-ol
SMILESOc1cc2ccccc2cc1/C=N/N=C/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C26H18N2O/c29-26-15-19-8-2-1-7-18(19)13-22(26)16-27-28-17-25-23-11-5-3-9-20(23)14-21-10-4-6-12-24(21)25/h1-17,29H/b27-16+,28-17+
InChIKeyVSRGBUCEZIIUEK-ODBZBXGJSA-N
MW374.44 g/mol
LogP6.30
Rot. Bonds3

About 3-[(E)-[(E)-anthracen-9-ylmethylidenehydrazinylidene]methyl]naphthalen-2-ol

3-[(E)-[(E)-anthracen-9-ylmethylidenehydrazinylidene]methyl]naphthalen-2-ol (PubChem CID 135549556) has the molecular formula C26H18N2O and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-[(E)-[(E)-anthracen-9-ylmethylidenehydrazinylidene]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name3-[(E)-[(E)-anthracen-9-ylmethylidenehydrazinylidene]methyl]naphthalen-2-ol
PubChem CID135549556
Molecular FormulaC26H18N2O
Molecular Weight374.44 g/mol
Exact Mass374.14
IUPAC Name3-[(E)-[(E)-anthracen-9-ylmethylidenehydrazinylidene]methyl]naphthalen-2-ol
SMILESOc1cc2ccccc2cc1/C=N/N=C/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C26H18N2O/c29-26-15-19-8-2-1-7-18(19)13-22(26)16-27-28-17-25-23-11-5-3-9-20(23)14-21-10-4-6-12-24(21)25/h1-17,29H/b27-16+,28-17+
InChIKeyVSRGBUCEZIIUEK-ODBZBXGJSA-N
XLogP6.30
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[(E)-anthracen-9-ylmethylidenehydrazinylidene]methyl]naphthalen-2-ol?
The IUPAC name of 3-[(E)-[(E)-anthracen-9-ylmethylidenehydrazinylidene]methyl]naphthalen-2-ol (CID 135549556) is 3-[(E)-[(E)-anthracen-9-ylmethylidenehydrazinylidene]methyl]naphthalen-2-ol.
What is the SMILES notation for 3-[(E)-[(E)-anthracen-9-ylmethylidenehydrazinylidene]methyl]naphthalen-2-ol?
The canonical SMILES for 3-[(E)-[(E)-anthracen-9-ylmethylidenehydrazinylidene]methyl]naphthalen-2-ol is Oc1cc2ccccc2cc1/C=N/N=C/c1c2ccccc2cc2ccccc12.
What is the InChIKey of 3-[(E)-[(E)-anthracen-9-ylmethylidenehydrazinylidene]methyl]naphthalen-2-ol?
The InChIKey is VSRGBUCEZIIUEK-ODBZBXGJSA-N. The full InChI is InChI=1S/C26H18N2O/c29-26-15-19-8-2-1-7-18(19)13-22(26)16-27-28-17-25-23-11-5-3-9-20(23)14-21-10-4-6-12-24(21)25/h1-17,29H/b27-16+,28-17+.
What are the key properties of 3-[(E)-[(E)-anthracen-9-ylmethylidenehydrazinylidene]methyl]naphthalen-2-ol?
3-[(E)-[(E)-anthracen-9-ylmethylidenehydrazinylidene]methyl]naphthalen-2-ol has a molecular weight of 374.44 g/mol, XLogP of 6.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[(E)-anthracen-9-ylmethylidenehydrazinylidene]methyl]naphthalen-2-ol is sourced from PubChem (CID 135549556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).