(4-benzoylphenyl) 4-carbazol-9-yl-2,2,3-trimethylpentanoate

C33H31NO3 — CID 154988230

IUPAC(4-benzoylphenyl) 4-carbazol-9-yl-2,2,3-trimethylpentanoate
SMILESCC(C(C)C(C)(C)C(=O)Oc1ccc(C(=O)c2ccccc2)cc1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C33H31NO3/c1-22(23(2)34-29-16-10-8-14-27(29)28-15-9-11-17-30(28)34)33(3,4)32(36)37-26-20-18-25(19-21-26)31(35)24-12-6-5-7-13-24/h5-23H,1-4H3
InChIKeyCHJOXDDUPOUFTF-UHFFFAOYSA-N
MW489.62 g/mol
LogP7.85
Rot. Bonds7

About (4-benzoylphenyl) 4-carbazol-9-yl-2,2,3-trimethylpentanoate

(4-benzoylphenyl) 4-carbazol-9-yl-2,2,3-trimethylpentanoate (PubChem CID 154988230) has the molecular formula C33H31NO3 and a molecular weight of 489.62 g/mol. Its IUPAC name is (4-benzoylphenyl) 4-carbazol-9-yl-2,2,3-trimethylpentanoate.

Molecular Properties

Compound Name(4-benzoylphenyl) 4-carbazol-9-yl-2,2,3-trimethylpentanoate
PubChem CID154988230
Molecular FormulaC33H31NO3
Molecular Weight489.62 g/mol
Exact Mass489.23
IUPAC Name(4-benzoylphenyl) 4-carbazol-9-yl-2,2,3-trimethylpentanoate
SMILESCC(C(C)C(C)(C)C(=O)Oc1ccc(C(=O)c2ccccc2)cc1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C33H31NO3/c1-22(23(2)34-29-16-10-8-14-27(29)28-15-9-11-17-30(28)34)33(3,4)32(36)37-26-20-18-25(19-21-26)31(35)24-12-6-5-7-13-24/h5-23H,1-4H3
InChIKeyCHJOXDDUPOUFTF-UHFFFAOYSA-N
XLogP7.85
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.62
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (4-benzoylphenyl) 4-carbazol-9-yl-2,2,3-trimethylpentanoate 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

(4-benzoylphenyl) 2-bromo-2-methylpropanoate
CID 59741508
(4-benzoylphenyl) 2,2-dimethylpentanoate
CID 70377336
(4-benzoylphenyl) (2S)-2-amino-3-methylbutanoate
CID 11022873
2,2-dimethylpropane;diphenylmethanone
CID 159191976
[1-(1-methoxypropan-2-yl)-2-propan-2-ylindol-3-yl]-phenylmethanone
CID 70528660
[4-[9-[3-(4-benzoylphenyl)carbazol-9-yl]carbazol-3-yl]phenyl]-phenylmethanone
CID 155444189
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
(4-hydroxyphenyl)-phenylmethanone;phenyl hydrogen carbonate
CID 118078754
[4-[4-[2-[4-(4-benzoylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-phenylmethanone
CID 70475696
(4-methylphenyl) 2,2,3-trimethylbutanoate
CID 143509662
(2-methylindazol-3-yl)-phenylmethanone
CID 11658728
[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-phenylmethanone
CID 145160096

Frequently Asked Questions

What is the IUPAC name of (4-benzoylphenyl) 4-carbazol-9-yl-2,2,3-trimethylpentanoate?
The IUPAC name of (4-benzoylphenyl) 4-carbazol-9-yl-2,2,3-trimethylpentanoate (CID 154988230) is (4-benzoylphenyl) 4-carbazol-9-yl-2,2,3-trimethylpentanoate.
What is the SMILES notation for (4-benzoylphenyl) 4-carbazol-9-yl-2,2,3-trimethylpentanoate?
The canonical SMILES for (4-benzoylphenyl) 4-carbazol-9-yl-2,2,3-trimethylpentanoate is CC(C(C)C(C)(C)C(=O)Oc1ccc(C(=O)c2ccccc2)cc1)n1c2ccccc2c2ccccc21.
What is the InChIKey of (4-benzoylphenyl) 4-carbazol-9-yl-2,2,3-trimethylpentanoate?
The InChIKey is CHJOXDDUPOUFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31NO3/c1-22(23(2)34-29-16-10-8-14-27(29)28-15-9-11-17-30(28)34)33(3,4)32(36)37-26-20-18-25(19-21-26)31(35)24-12-6-5-7-13-24/h5-23H,1-4H3.
What are the key properties of (4-benzoylphenyl) 4-carbazol-9-yl-2,2,3-trimethylpentanoate?
(4-benzoylphenyl) 4-carbazol-9-yl-2,2,3-trimethylpentanoate has a molecular weight of 489.62 g/mol, XLogP of 7.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoylphenyl) 4-carbazol-9-yl-2,2,3-trimethylpentanoate is sourced from PubChem (CID 154988230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).