[[1-oxo-1-[9-[4-(4-phenylbenzoyl)phenyl]carbazol-3-yl]propan-2-ylidene]amino] acetate

C36H26N2O4 — CID 167275551

IUPAC[[1-oxo-1-[9-[4-(4-phenylbenzoyl)phenyl]carbazol-3-yl]propan-2-ylidene]amino] acetate
SMILESCC(=O)ON=C(C)C(=O)c1ccc2c(c1)c1ccccc1n2-c1ccc(C(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C36H26N2O4/c1-23(37-42-24(2)39)35(40)29-18-21-34-32(22-29)31-10-6-7-11-33(31)38(34)30-19-16-28(17-20-30)36(41)27-14-12-26(13-15-27)25-8-4-3-5-9-25/h3-22H,1-2H3
InChIKeyNYQNUGMDGQPRGL-UHFFFAOYSA-N
MW550.61 g/mol
LogP7.80
Rot. Bonds7

About [[1-oxo-1-[9-[4-(4-phenylbenzoyl)phenyl]carbazol-3-yl]propan-2-ylidene]amino] acetate

[[1-oxo-1-[9-[4-(4-phenylbenzoyl)phenyl]carbazol-3-yl]propan-2-ylidene]amino] acetate (PubChem CID 167275551) has the molecular formula C36H26N2O4 and a molecular weight of 550.61 g/mol. Its IUPAC name is [[1-oxo-1-[9-[4-(4-phenylbenzoyl)phenyl]carbazol-3-yl]propan-2-ylidene]amino] acetate.

Molecular Properties

Compound Name[[1-oxo-1-[9-[4-(4-phenylbenzoyl)phenyl]carbazol-3-yl]propan-2-ylidene]amino] acetate
PubChem CID167275551
Molecular FormulaC36H26N2O4
Molecular Weight550.61 g/mol
Exact Mass550.19
IUPAC Name[[1-oxo-1-[9-[4-(4-phenylbenzoyl)phenyl]carbazol-3-yl]propan-2-ylidene]amino] acetate
SMILESCC(=O)ON=C(C)C(=O)c1ccc2c(c1)c1ccccc1n2-c1ccc(C(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C36H26N2O4/c1-23(37-42-24(2)39)35(40)29-18-21-34-32(22-29)31-10-6-7-11-33(31)38(34)30-19-16-28(17-20-30)36(41)27-14-12-26(13-15-27)25-8-4-3-5-9-25/h3-22H,1-2H3
InChIKeyNYQNUGMDGQPRGL-UHFFFAOYSA-N
XLogP7.80
TPSA77.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.61
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [[1-oxo-1-[9-[4-(4-phenylbenzoyl)phenyl]carbazol-3-yl]propan-2-ylidene]amino] acetate 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

[1-[4-[4-[(E)-N-acetyloxy-C-methylcarbonimidoyl]-N-[4-(4-carbazol-9-ylbenzoyl)phenyl]anilino]phenyl]ethylideneamino] acetate
CID 58289415
bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]methanone
CID 102359107
2-oxo-2-(9-phenylcarbazol-3-yl)acetic acid
CID 22287027
phenyl-[4-[4-phenyl-6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]methanone
CID 121276664
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
[4-[6-[(2E)-2-acetyloxyiminopropanoyl]-9-ethylcarbazole-3-carbonyl]phenyl] acetate
CID 156846404
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
(Z)-4-methoxy-3-[4-(9-phenylcarbazol-3-yl)phenyl]pent-3-en-2-one
CID 134598525
[(Z)-[2-[4-(3-aminocarbazol-9-yl)phenyl]-1-(2-fluorophenyl)-2-oxoethylidene]amino] acetate
CID 145437393

Frequently Asked Questions

What is the IUPAC name of [[1-oxo-1-[9-[4-(4-phenylbenzoyl)phenyl]carbazol-3-yl]propan-2-ylidene]amino] acetate?
The IUPAC name of [[1-oxo-1-[9-[4-(4-phenylbenzoyl)phenyl]carbazol-3-yl]propan-2-ylidene]amino] acetate (CID 167275551) is [[1-oxo-1-[9-[4-(4-phenylbenzoyl)phenyl]carbazol-3-yl]propan-2-ylidene]amino] acetate.
What is the SMILES notation for [[1-oxo-1-[9-[4-(4-phenylbenzoyl)phenyl]carbazol-3-yl]propan-2-ylidene]amino] acetate?
The canonical SMILES for [[1-oxo-1-[9-[4-(4-phenylbenzoyl)phenyl]carbazol-3-yl]propan-2-ylidene]amino] acetate is CC(=O)ON=C(C)C(=O)c1ccc2c(c1)c1ccccc1n2-c1ccc(C(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of [[1-oxo-1-[9-[4-(4-phenylbenzoyl)phenyl]carbazol-3-yl]propan-2-ylidene]amino] acetate?
The InChIKey is NYQNUGMDGQPRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N2O4/c1-23(37-42-24(2)39)35(40)29-18-21-34-32(22-29)31-10-6-7-11-33(31)38(34)30-19-16-28(17-20-30)36(41)27-14-12-26(13-15-27)25-8-4-3-5-9-25/h3-22H,1-2H3.
What are the key properties of [[1-oxo-1-[9-[4-(4-phenylbenzoyl)phenyl]carbazol-3-yl]propan-2-ylidene]amino] acetate?
[[1-oxo-1-[9-[4-(4-phenylbenzoyl)phenyl]carbazol-3-yl]propan-2-ylidene]amino] acetate has a molecular weight of 550.61 g/mol, XLogP of 7.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[1-oxo-1-[9-[4-(4-phenylbenzoyl)phenyl]carbazol-3-yl]propan-2-ylidene]amino] acetate is sourced from PubChem (CID 167275551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).