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

C36H27N5O7 — CID 122231350

IUPAC2-N',7-N'-bis(2-hydroxybenzoyl)-9-phenylmethoxyiminofluorene-2,7-dicarbohydrazide
SMILESO=C(NNC(=O)c1ccccc1O)c1ccc2c(c1)C(=NOCc1ccccc1)c1cc(C(=O)NNC(=O)c3ccccc3O)ccc1-2
InChIInChI=1S/C36H27N5O7/c42-30-12-6-4-10-26(30)35(46)39-37-33(44)22-14-16-24-25-17-15-23(34(45)38-40-36(47)27-11-5-7-13-31(27)43)19-29(25)32(28(24)18-22)41-48-20-21-8-2-1-3-9-21/h1-19,42-43H,20H2,(H,37,44)(H,38,45)(H,39,46)(H,40,47)
InChIKeyDNVPHNYOKZEVNN-UHFFFAOYSA-N
MW641.64 g/mol
LogP4.20
Rot. Bonds7

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

2-N',7-N'-bis(2-hydroxybenzoyl)-9-phenylmethoxyiminofluorene-2,7-dicarbohydrazide (PubChem CID 122231350) has the molecular formula C36H27N5O7 and a molecular weight of 641.64 g/mol. Its IUPAC name is 2-N',7-N'-bis(2-hydroxybenzoyl)-9-phenylmethoxyiminofluorene-2,7-dicarbohydrazide.

Molecular Properties

Compound Name2-N',7-N'-bis(2-hydroxybenzoyl)-9-phenylmethoxyiminofluorene-2,7-dicarbohydrazide
PubChem CID122231350
Molecular FormulaC36H27N5O7
Molecular Weight641.64 g/mol
Exact Mass641.19
IUPAC Name2-N',7-N'-bis(2-hydroxybenzoyl)-9-phenylmethoxyiminofluorene-2,7-dicarbohydrazide
SMILESO=C(NNC(=O)c1ccccc1O)c1ccc2c(c1)C(=NOCc1ccccc1)c1cc(C(=O)NNC(=O)c3ccccc3O)ccc1-2
InChIInChI=1S/C36H27N5O7/c42-30-12-6-4-10-26(30)35(46)39-37-33(44)22-14-16-24-25-17-15-23(34(45)38-40-36(47)27-11-5-7-13-31(27)43)19-29(25)32(28(24)18-22)41-48-20-21-8-2-1-3-9-21/h1-19,42-43H,20H2,(H,37,44)(H,38,45)(H,39,46)(H,40,47)
InChIKeyDNVPHNYOKZEVNN-UHFFFAOYSA-N
XLogP4.20
TPSA178.45 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.64
LogP ≤ 54.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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-hydroxyiminofluorene-2,7-dicarbohydrazide
CID 122231349
2-hydroxy-N'-[4-(methoxymethyl)benzoyl]benzohydrazide
CID 51219078
1-N',3-N'-bis(2-hydroxybenzoyl)propanedihydrazide
CID 21348404
methyl 4-[[(2-hydroxybenzoyl)amino]carbamoyl]benzoate
CID 27693462
N'-benzoyl-2-phenylmethoxybenzohydrazide
CID 4938014
N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2-hydroxybenzohydrazide
CID 51128117
3,4-dihydroxy-N-phenylmethoxybenzamide
CID 91664812
2-hydroxy-N'-(4-hydroxybenzenecarbothioyl)benzohydrazide
CID 135992560
benzyl N-benzamidocarbamate
CID 4935848
2-methyl-N'-(3-phenylmethoxybenzoyl)benzohydrazide
CID 46520493
5-ethyl-2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide
CID 60611924
benzyl N-[3-[(2-hydroxybenzoyl)amino]butan-2-yl]carbamate
CID 67174902

Frequently Asked Questions

What is the IUPAC name of 2-N',7-N'-bis(2-hydroxybenzoyl)-9-phenylmethoxyiminofluorene-2,7-dicarbohydrazide?
The IUPAC name of 2-N',7-N'-bis(2-hydroxybenzoyl)-9-phenylmethoxyiminofluorene-2,7-dicarbohydrazide (CID 122231350) is 2-N',7-N'-bis(2-hydroxybenzoyl)-9-phenylmethoxyiminofluorene-2,7-dicarbohydrazide.
What is the SMILES notation for 2-N',7-N'-bis(2-hydroxybenzoyl)-9-phenylmethoxyiminofluorene-2,7-dicarbohydrazide?
The canonical SMILES for 2-N',7-N'-bis(2-hydroxybenzoyl)-9-phenylmethoxyiminofluorene-2,7-dicarbohydrazide is O=C(NNC(=O)c1ccccc1O)c1ccc2c(c1)C(=NOCc1ccccc1)c1cc(C(=O)NNC(=O)c3ccccc3O)ccc1-2.
What is the InChIKey of 2-N',7-N'-bis(2-hydroxybenzoyl)-9-phenylmethoxyiminofluorene-2,7-dicarbohydrazide?
The InChIKey is DNVPHNYOKZEVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27N5O7/c42-30-12-6-4-10-26(30)35(46)39-37-33(44)22-14-16-24-25-17-15-23(34(45)38-40-36(47)27-11-5-7-13-31(27)43)19-29(25)32(28(24)18-22)41-48-20-21-8-2-1-3-9-21/h1-19,42-43H,20H2,(H,37,44)(H,38,45)(H,39,46)(H,40,47).
What are the key properties of 2-N',7-N'-bis(2-hydroxybenzoyl)-9-phenylmethoxyiminofluorene-2,7-dicarbohydrazide?
2-N',7-N'-bis(2-hydroxybenzoyl)-9-phenylmethoxyiminofluorene-2,7-dicarbohydrazide has a molecular weight of 641.64 g/mol, XLogP of 4.20, 7 rotatable bonds, 6 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-phenylmethoxyiminofluorene-2,7-dicarbohydrazide is sourced from PubChem (CID 122231350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).