2-N',7-N'-bis(2-hydroxybenzoyl)-9-hydroxyiminofluorene-2,7-dicarbohydrazide

C29H21N5O7 — CID 122231349

IUPAC2-N',7-N'-bis(2-hydroxybenzoyl)-9-hydroxyiminofluorene-2,7-dicarbohydrazide
SMILESO=C(NNC(=O)c1ccccc1O)c1ccc2c(c1)C(=NO)c1cc(C(=O)NNC(=O)c3ccccc3O)ccc1-2
InChIInChI=1S/C29H21N5O7/c35-23-7-3-1-5-19(23)28(39)32-30-26(37)15-9-11-17-18-12-10-16(14-22(18)25(34-41)21(17)13-15)27(38)31-33-29(40)20-6-2-4-8-24(20)36/h1-14,35-36,41H,(H,30,37)(H,31,38)(H,32,39)(H,33,40)
InChIKeySNKNQXIJQACPNE-UHFFFAOYSA-N
MW551.52 g/mol
LogP2.45
Rot. Bonds4

About 2-N',7-N'-bis(2-hydroxybenzoyl)-9-hydroxyiminofluorene-2,7-dicarbohydrazide

2-N',7-N'-bis(2-hydroxybenzoyl)-9-hydroxyiminofluorene-2,7-dicarbohydrazide (PubChem CID 122231349) has the molecular formula C29H21N5O7 and a molecular weight of 551.52 g/mol. Its IUPAC name is 2-N',7-N'-bis(2-hydroxybenzoyl)-9-hydroxyiminofluorene-2,7-dicarbohydrazide.

Molecular Properties

Compound Name2-N',7-N'-bis(2-hydroxybenzoyl)-9-hydroxyiminofluorene-2,7-dicarbohydrazide
PubChem CID122231349
Molecular FormulaC29H21N5O7
Molecular Weight551.52 g/mol
Exact Mass551.14
IUPAC Name2-N',7-N'-bis(2-hydroxybenzoyl)-9-hydroxyiminofluorene-2,7-dicarbohydrazide
SMILESO=C(NNC(=O)c1ccccc1O)c1ccc2c(c1)C(=NO)c1cc(C(=O)NNC(=O)c3ccccc3O)ccc1-2
InChIInChI=1S/C29H21N5O7/c35-23-7-3-1-5-19(23)28(39)32-30-26(37)15-9-11-17-18-12-10-16(14-22(18)25(34-41)21(17)13-15)27(38)31-33-29(40)20-6-2-4-8-24(20)36/h1-14,35-36,41H,(H,30,37)(H,31,38)(H,32,39)(H,33,40)
InChIKeySNKNQXIJQACPNE-UHFFFAOYSA-N
XLogP2.45
TPSA189.45 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.52
LogP ≤ 52.45
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N',7-N'-bis(2-hydroxybenzoyl)-9-phenylmethoxyiminofluorene-2,7-dicarbohydrazide
CID 122231350
methyl 4-[[(2-hydroxybenzoyl)amino]carbamoyl]benzoate
CID 27693462
2-hydroxy-N'-[4-(methoxymethyl)benzoyl]benzohydrazide
CID 51219078
2-hydroxy-N'-(4-hydroxybenzenecarbothioyl)benzohydrazide
CID 135992560
1-N',3-N'-bis(2-hydroxybenzoyl)propanedihydrazide
CID 21348404
N'-(2-hydroxybenzoyl)-3-nitro-4-pyrrolidin-1-ylbenzohydrazide
CID 27694002
N-cyclopropyl-3-[[(2-hydroxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 27698212
2-hydroxy-N'-propanoylbenzohydrazide
CID 15893878
N-(2-hydroxybenzoyl)naphthalene-2-carboxamide
CID 57386028
1-[3-[[(2-hydroxybenzoyl)amino]carbamoyl]phenyl]-3-propan-2-ylurea
CID 46429431
N-tert-butyl-5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide
CID 27693844
5-ethyl-2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide
CID 60611924

Frequently Asked Questions

What is the IUPAC name of 2-N',7-N'-bis(2-hydroxybenzoyl)-9-hydroxyiminofluorene-2,7-dicarbohydrazide?
The IUPAC name of 2-N',7-N'-bis(2-hydroxybenzoyl)-9-hydroxyiminofluorene-2,7-dicarbohydrazide (CID 122231349) is 2-N',7-N'-bis(2-hydroxybenzoyl)-9-hydroxyiminofluorene-2,7-dicarbohydrazide.
What is the SMILES notation for 2-N',7-N'-bis(2-hydroxybenzoyl)-9-hydroxyiminofluorene-2,7-dicarbohydrazide?
The canonical SMILES for 2-N',7-N'-bis(2-hydroxybenzoyl)-9-hydroxyiminofluorene-2,7-dicarbohydrazide is O=C(NNC(=O)c1ccccc1O)c1ccc2c(c1)C(=NO)c1cc(C(=O)NNC(=O)c3ccccc3O)ccc1-2.
What is the InChIKey of 2-N',7-N'-bis(2-hydroxybenzoyl)-9-hydroxyiminofluorene-2,7-dicarbohydrazide?
The InChIKey is SNKNQXIJQACPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N5O7/c35-23-7-3-1-5-19(23)28(39)32-30-26(37)15-9-11-17-18-12-10-16(14-22(18)25(34-41)21(17)13-15)27(38)31-33-29(40)20-6-2-4-8-24(20)36/h1-14,35-36,41H,(H,30,37)(H,31,38)(H,32,39)(H,33,40).
What are the key properties of 2-N',7-N'-bis(2-hydroxybenzoyl)-9-hydroxyiminofluorene-2,7-dicarbohydrazide?
2-N',7-N'-bis(2-hydroxybenzoyl)-9-hydroxyiminofluorene-2,7-dicarbohydrazide has a molecular weight of 551.52 g/mol, XLogP of 2.45, 4 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N',7-N'-bis(2-hydroxybenzoyl)-9-hydroxyiminofluorene-2,7-dicarbohydrazide is sourced from PubChem (CID 122231349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).