(1Z)-1-(4-carbazol-9-ylphenyl)-1-hydroxyiminopropan-2-one

C21H16N2O2 — CID 50936669

IUPAC(1Z)-1-(4-carbazol-9-ylphenyl)-1-hydroxyiminopropan-2-one
SMILESCC(=O)/C(=N\O)c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C21H16N2O2/c1-14(24)21(22-25)15-10-12-16(13-11-15)23-19-8-4-2-6-17(19)18-7-3-5-9-20(18)23/h2-13,25H,1H3/b22-21+
InChIKeySYUFCLBXZHMWHT-QURGRASLSA-N
MW328.37 g/mol
LogP4.55
Rot. Bonds3

About (1Z)-1-(4-carbazol-9-ylphenyl)-1-hydroxyiminopropan-2-one

(1Z)-1-(4-carbazol-9-ylphenyl)-1-hydroxyiminopropan-2-one (PubChem CID 50936669) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is (1Z)-1-(4-carbazol-9-ylphenyl)-1-hydroxyiminopropan-2-one.

Molecular Properties

Compound Name(1Z)-1-(4-carbazol-9-ylphenyl)-1-hydroxyiminopropan-2-one
PubChem CID50936669
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name(1Z)-1-(4-carbazol-9-ylphenyl)-1-hydroxyiminopropan-2-one
SMILESCC(=O)/C(=N\O)c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C21H16N2O2/c1-14(24)21(22-25)15-10-12-16(13-11-15)23-19-8-4-2-6-17(19)18-7-3-5-9-20(18)23/h2-13,25H,1H3/b22-21+
InChIKeySYUFCLBXZHMWHT-QURGRASLSA-N
XLogP4.55
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1Z)-1-(4-carbazol-9-ylphenyl)-1-hydroxyiminopropan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[4-[(E)-3-(4-carbazol-9-ylphenyl)but-2-en-2-yl]phenyl]carbazole
CID 140924005
bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]methanone
CID 102359107
1-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]ethanone
CID 141209128
1-(3-carbazol-9-ylcarbazol-9-yl)ethanone
CID 118391781
2-oxo-2-(9-phenylcarbazol-3-yl)acetic acid
CID 22287027
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318
[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-(4-carbazol-9-ylbenzoyl)phenyl]anilino]phenyl]ethylideneamino] acetate
CID 58289415
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-(4-phosphorosophenyl)carbazole
CID 175691393
9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]carbazole
CID 58939501
5-[4-[5-[4-(6-oxophenanthridin-5-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]phenanthridin-6-one
CID 90379871

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(4-carbazol-9-ylphenyl)-1-hydroxyiminopropan-2-one?
The IUPAC name of (1Z)-1-(4-carbazol-9-ylphenyl)-1-hydroxyiminopropan-2-one (CID 50936669) is (1Z)-1-(4-carbazol-9-ylphenyl)-1-hydroxyiminopropan-2-one.
What is the SMILES notation for (1Z)-1-(4-carbazol-9-ylphenyl)-1-hydroxyiminopropan-2-one?
The canonical SMILES for (1Z)-1-(4-carbazol-9-ylphenyl)-1-hydroxyiminopropan-2-one is CC(=O)/C(=N\O)c1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of (1Z)-1-(4-carbazol-9-ylphenyl)-1-hydroxyiminopropan-2-one?
The InChIKey is SYUFCLBXZHMWHT-QURGRASLSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-14(24)21(22-25)15-10-12-16(13-11-15)23-19-8-4-2-6-17(19)18-7-3-5-9-20(18)23/h2-13,25H,1H3/b22-21+.
What are the key properties of (1Z)-1-(4-carbazol-9-ylphenyl)-1-hydroxyiminopropan-2-one?
(1Z)-1-(4-carbazol-9-ylphenyl)-1-hydroxyiminopropan-2-one has a molecular weight of 328.37 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(4-carbazol-9-ylphenyl)-1-hydroxyiminopropan-2-one is sourced from PubChem (CID 50936669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).