[1-[(E)-[(1-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]naphthalen-2-yl] naphthalene-1-carboxylate

C33H22N2O4 — CID 46500871

IUPAC[1-[(E)-[(1-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]naphthalen-2-yl] naphthalene-1-carboxylate
SMILESO=C(N/N=C/c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12)c1ccc2ccccc2c1O
InChIInChI=1S/C33H22N2O4/c36-31-26-14-6-3-10-23(26)16-18-28(31)32(37)35-34-20-29-25-13-5-2-9-22(25)17-19-30(29)39-33(38)27-15-7-11-21-8-1-4-12-24(21)27/h1-20,36H,(H,35,37)/b34-20+
InChIKeySSOHRNIUTIOVFA-QXUDOOCXSA-N
MW510.55 g/mol
LogP6.83
Rot. Bonds5

About [1-[(E)-[(1-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]naphthalen-2-yl] naphthalene-1-carboxylate

[1-[(E)-[(1-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]naphthalen-2-yl] naphthalene-1-carboxylate (PubChem CID 46500871) has the molecular formula C33H22N2O4 and a molecular weight of 510.55 g/mol. Its IUPAC name is [1-[(E)-[(1-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]naphthalen-2-yl] naphthalene-1-carboxylate.

Molecular Properties

Compound Name[1-[(E)-[(1-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]naphthalen-2-yl] naphthalene-1-carboxylate
PubChem CID46500871
Molecular FormulaC33H22N2O4
Molecular Weight510.55 g/mol
Exact Mass510.16
IUPAC Name[1-[(E)-[(1-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]naphthalen-2-yl] naphthalene-1-carboxylate
SMILESO=C(N/N=C/c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12)c1ccc2ccccc2c1O
InChIInChI=1S/C33H22N2O4/c36-31-26-14-6-3-10-23(26)16-18-28(31)32(37)35-34-20-29-25-13-5-2-9-22(25)17-19-30(29)39-33(38)27-15-7-11-21-8-1-4-12-24(21)27/h1-20,36H,(H,35,37)/b34-20+
InChIKeySSOHRNIUTIOVFA-QXUDOOCXSA-N
XLogP6.83
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.55
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[1-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate
CID 6092077
[1-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 6305314
[1-[(Z)-[(2-iodobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 6014791
N-(anthracen-9-ylmethylideneamino)-1-hydroxynaphthalene-2-carboxamide
CID 3995979
[1-[(benzoylhydrazinylidene)methyl]naphthalen-2-yl] benzoate
CID 3442368
[1-[[(2-methoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 3739553
[1-[(Z)-[(2-iodobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 6017514
N-(benzylideneamino)-1-hydroxynaphthalene-2-carboxamide
CID 4115727
N-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-2-hydroxybenzamide
CID 9078032
[1-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 6161143
2-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 5396822
[1-[(Z)-[(4-methoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 6186341

Frequently Asked Questions

What is the IUPAC name of [1-[(E)-[(1-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]naphthalen-2-yl] naphthalene-1-carboxylate?
The IUPAC name of [1-[(E)-[(1-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]naphthalen-2-yl] naphthalene-1-carboxylate (CID 46500871) is [1-[(E)-[(1-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]naphthalen-2-yl] naphthalene-1-carboxylate.
What is the SMILES notation for [1-[(E)-[(1-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]naphthalen-2-yl] naphthalene-1-carboxylate?
The canonical SMILES for [1-[(E)-[(1-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]naphthalen-2-yl] naphthalene-1-carboxylate is O=C(N/N=C/c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12)c1ccc2ccccc2c1O.
What is the InChIKey of [1-[(E)-[(1-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]naphthalen-2-yl] naphthalene-1-carboxylate?
The InChIKey is SSOHRNIUTIOVFA-QXUDOOCXSA-N. The full InChI is InChI=1S/C33H22N2O4/c36-31-26-14-6-3-10-23(26)16-18-28(31)32(37)35-34-20-29-25-13-5-2-9-22(25)17-19-30(29)39-33(38)27-15-7-11-21-8-1-4-12-24(21)27/h1-20,36H,(H,35,37)/b34-20+.
What are the key properties of [1-[(E)-[(1-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]naphthalen-2-yl] naphthalene-1-carboxylate?
[1-[(E)-[(1-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]naphthalen-2-yl] naphthalene-1-carboxylate has a molecular weight of 510.55 g/mol, XLogP of 6.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(E)-[(1-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]naphthalen-2-yl] naphthalene-1-carboxylate is sourced from PubChem (CID 46500871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).