3,5-dibromo-N-[[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-hydroxybenzamide

C30H20Br3N3O2 — CID 3973684

IUPAC3,5-dibromo-N-[[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-hydroxybenzamide
SMILESO=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C30H20Br3N3O2/c31-22-11-13-24(14-12-22)36-27(19-7-3-1-4-8-19)15-21(28(36)20-9-5-2-6-10-20)18-34-35-30(38)25-16-23(32)17-26(33)29(25)37/h1-18,37H,(H,35,38)
InChIKeyZWUWISYQELMCGU-UHFFFAOYSA-N
MW694.22 g/mol
LogP8.57
Rot. Bonds6

About 3,5-dibromo-N-[[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-hydroxybenzamide

3,5-dibromo-N-[[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-hydroxybenzamide (PubChem CID 3973684) has the molecular formula C30H20Br3N3O2 and a molecular weight of 694.22 g/mol. Its IUPAC name is 3,5-dibromo-N-[[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-hydroxybenzamide
PubChem CID3973684
Molecular FormulaC30H20Br3N3O2
Molecular Weight694.22 g/mol
Exact Mass690.91
IUPAC Name3,5-dibromo-N-[[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-hydroxybenzamide
SMILESO=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C30H20Br3N3O2/c31-22-11-13-24(14-12-22)36-27(19-7-3-1-4-8-19)15-21(28(36)20-9-5-2-6-10-20)18-34-35-30(38)25-16-23(32)17-26(33)29(25)37/h1-18,37H,(H,35,38)
InChIKeyZWUWISYQELMCGU-UHFFFAOYSA-N
XLogP8.57
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.22
LogP ≤ 58.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

5-bromo-N-[(E)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-7-iodo-1-benzofuran-2-carboxamide
CID 126023406
3,5-dibromo-N-[(E)-(4-bromophenyl)methylideneamino]-2-hydroxybenzamide
CID 5331660
N-[(Z)-[1-(4-methylphenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126037298
N-[(E)-[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]acetamide
CID 96843404
N-[(Z)-[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]pyridine-2-carboxamide
CID 94845723
3-hydroxy-4-iodo-N-[[1-(4-methylphenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]benzamide
CID 4195893
N-[[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-4-nitroaniline
CID 3701081
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 4504170
N-[(Z)-[1-(4-nitrophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]naphthalene-2-carboxamide
CID 98114973
N-[(Z)-[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126023050
4-[2-[(Z)-[(3,5-dibromo-2-hydroxybenzoyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoic acid
CID 126256937
N-[(Z)-[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-4-(2-methyl-5-phenylpyrrol-1-yl)benzamide
CID 124534113

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-hydroxybenzamide?
The IUPAC name of 3,5-dibromo-N-[[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-hydroxybenzamide (CID 3973684) is 3,5-dibromo-N-[[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for 3,5-dibromo-N-[[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for 3,5-dibromo-N-[[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-hydroxybenzamide is O=C(NN=Cc1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1cc(Br)cc(Br)c1O.
What is the InChIKey of 3,5-dibromo-N-[[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-hydroxybenzamide?
The InChIKey is ZWUWISYQELMCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20Br3N3O2/c31-22-11-13-24(14-12-22)36-27(19-7-3-1-4-8-19)15-21(28(36)20-9-5-2-6-10-20)18-34-35-30(38)25-16-23(32)17-26(33)29(25)37/h1-18,37H,(H,35,38).
What are the key properties of 3,5-dibromo-N-[[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-hydroxybenzamide?
3,5-dibromo-N-[[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-hydroxybenzamide has a molecular weight of 694.22 g/mol, XLogP of 8.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 3973684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).