1-(3-tert-butyl-1-phenylcarbazol-9-yl)ethanone

C24H23NO — CID 102291766

IUPAC1-(3-tert-butyl-1-phenylcarbazol-9-yl)ethanone
SMILESCC(=O)n1c2ccccc2c2cc(C(C)(C)C)cc(-c3ccccc3)c21
InChIInChI=1S/C24H23NO/c1-16(26)25-22-13-9-8-12-19(22)21-15-18(24(2,3)4)14-20(23(21)25)17-10-6-5-7-11-17/h5-15H,1-4H3
InChIKeyJEHMSTAECZFART-UHFFFAOYSA-N
MW341.45 g/mol
LogP6.42
Rot. Bonds1

About 1-(3-tert-butyl-1-phenylcarbazol-9-yl)ethanone

1-(3-tert-butyl-1-phenylcarbazol-9-yl)ethanone (PubChem CID 102291766) has the molecular formula C24H23NO and a molecular weight of 341.45 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-phenylcarbazol-9-yl)ethanone.

Molecular Properties

Compound Name1-(3-tert-butyl-1-phenylcarbazol-9-yl)ethanone
PubChem CID102291766
Molecular FormulaC24H23NO
Molecular Weight341.45 g/mol
Exact Mass341.18
IUPAC Name1-(3-tert-butyl-1-phenylcarbazol-9-yl)ethanone
SMILESCC(=O)n1c2ccccc2c2cc(C(C)(C)C)cc(-c3ccccc3)c21
InChIInChI=1S/C24H23NO/c1-16(26)25-22-13-9-8-12-19(22)21-15-18(24(2,3)4)14-20(23(21)25)17-10-6-5-7-11-17/h5-15H,1-4H3
InChIKeyJEHMSTAECZFART-UHFFFAOYSA-N
XLogP6.42
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-tert-butyl-1-phenylcarbazol-9-yl)ethanone 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-(3,5-ditert-butylphenyl)carbazole-9-carboxamide
CID 175352867
1-carbazol-9-ylethanone;ethane
CID 142183368
ethyl 3-ethoxycarbonyloxy-1-phenylcarbazole-9-carboxylate
CID 10092561
1-[7-methyl-1-(4-methylphenyl)carbazol-9-yl]ethanone
CID 102291757
9,14-ditert-butyl-7,22-bis(9-phenylcarbazol-3-yl)-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.024,29.031,39.033,38.016,40]tetraconta-1(39),2(19),3,6(11),7,9,12(40),13,15,17,21(30),22,24,26,28,31,33,35,37-nonadecaene
CID 169056763
5,10-ditert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 102489233
N-(9-acetylcarbazol-3-yl)acetamide
CID 3326945
9,14-ditert-butyl-7-(9-phenylcarbazol-3-yl)-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.032,37.016,40]tetraconta-1(38),2(19),3,6(11),7,9,12(40),13,15,17,21,23,25,27,29,31(39),32,34,36-nonadecaene
CID 169055845
1-carbazol-9-ylethanone;diaziridin-3-one
CID 174714920
1-(3-carbazol-9-ylcarbazol-9-yl)ethanone
CID 118391781
3-tert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501172
2-methoxy-1-(1-phenylcarbazol-9-yl)ethanone
CID 102291764

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1-phenylcarbazol-9-yl)ethanone?
The IUPAC name of 1-(3-tert-butyl-1-phenylcarbazol-9-yl)ethanone (CID 102291766) is 1-(3-tert-butyl-1-phenylcarbazol-9-yl)ethanone.
What is the SMILES notation for 1-(3-tert-butyl-1-phenylcarbazol-9-yl)ethanone?
The canonical SMILES for 1-(3-tert-butyl-1-phenylcarbazol-9-yl)ethanone is CC(=O)n1c2ccccc2c2cc(C(C)(C)C)cc(-c3ccccc3)c21.
What is the InChIKey of 1-(3-tert-butyl-1-phenylcarbazol-9-yl)ethanone?
The InChIKey is JEHMSTAECZFART-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO/c1-16(26)25-22-13-9-8-12-19(22)21-15-18(24(2,3)4)14-20(23(21)25)17-10-6-5-7-11-17/h5-15H,1-4H3.
What are the key properties of 1-(3-tert-butyl-1-phenylcarbazol-9-yl)ethanone?
1-(3-tert-butyl-1-phenylcarbazol-9-yl)ethanone has a molecular weight of 341.45 g/mol, XLogP of 6.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1-phenylcarbazol-9-yl)ethanone is sourced from PubChem (CID 102291766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).