1-(1-acetyl-9-phenylcarbazol-3-yl)ethanone

C22H17NO2 — CID 102587622

IUPAC1-(1-acetyl-9-phenylcarbazol-3-yl)ethanone
SMILESCC(=O)c1cc(C(C)=O)c2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C22H17NO2/c1-14(24)16-12-19(15(2)25)22-20(13-16)18-10-6-7-11-21(18)23(22)17-8-4-3-5-9-17/h3-13H,1-2H3
InChIKeySQYPVIDKWUXGCP-UHFFFAOYSA-N
MW327.38 g/mol
LogP5.19
Rot. Bonds3

About 1-(1-acetyl-9-phenylcarbazol-3-yl)ethanone

1-(1-acetyl-9-phenylcarbazol-3-yl)ethanone (PubChem CID 102587622) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-(1-acetyl-9-phenylcarbazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-acetyl-9-phenylcarbazol-3-yl)ethanone
PubChem CID102587622
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name1-(1-acetyl-9-phenylcarbazol-3-yl)ethanone
SMILESCC(=O)c1cc(C(C)=O)c2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C22H17NO2/c1-14(24)16-12-19(15(2)25)22-20(13-16)18-10-6-7-11-21(18)23(22)17-8-4-3-5-9-17/h3-13H,1-2H3
InChIKeySQYPVIDKWUXGCP-UHFFFAOYSA-N
XLogP5.19
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.38
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-2-(9-phenylcarbazol-3-yl)acetic acid
CID 22287027
methyl 9-phenylcarbazole-3-carboxylate
CID 164892004
1-(19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-10-yl)ethanone
CID 10684381
1-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]ethanone
CID 141209128
5-bromo-11-phenylbenzo[a]carbazole
CID 58410432
1-(9-phenylcarbazol-3-yl)pentan-1-one
CID 140927753
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
3,24-diphenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122464954
bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]methanone
CID 102359107
3-carbazol-9-yl-9-phenylcarbazole-1-carbonitrile
CID 134597706
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
9-[4-[(E)-3-(4-carbazol-9-ylphenyl)but-2-en-2-yl]phenyl]carbazole
CID 140924005

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetyl-9-phenylcarbazol-3-yl)ethanone?
The IUPAC name of 1-(1-acetyl-9-phenylcarbazol-3-yl)ethanone (CID 102587622) is 1-(1-acetyl-9-phenylcarbazol-3-yl)ethanone.
What is the SMILES notation for 1-(1-acetyl-9-phenylcarbazol-3-yl)ethanone?
The canonical SMILES for 1-(1-acetyl-9-phenylcarbazol-3-yl)ethanone is CC(=O)c1cc(C(C)=O)c2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 1-(1-acetyl-9-phenylcarbazol-3-yl)ethanone?
The InChIKey is SQYPVIDKWUXGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c1-14(24)16-12-19(15(2)25)22-20(13-16)18-10-6-7-11-21(18)23(22)17-8-4-3-5-9-17/h3-13H,1-2H3.
What are the key properties of 1-(1-acetyl-9-phenylcarbazol-3-yl)ethanone?
1-(1-acetyl-9-phenylcarbazol-3-yl)ethanone has a molecular weight of 327.38 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetyl-9-phenylcarbazol-3-yl)ethanone is sourced from PubChem (CID 102587622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).