1-(9-phenylcarbazol-3-yl)pentan-1-one

C23H21NO — CID 140927753

IUPAC1-(9-phenylcarbazol-3-yl)pentan-1-one
SMILESCCCCC(=O)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C23H21NO/c1-2-3-13-23(25)17-14-15-22-20(16-17)19-11-7-8-12-21(19)24(22)18-9-5-4-6-10-18/h4-12,14-16H,2-3,13H2,1H3
InChIKeyCYTNUYLJDGNTER-UHFFFAOYSA-N
MW327.43 g/mol
LogP6.16
Rot. Bonds5

About 1-(9-phenylcarbazol-3-yl)pentan-1-one

1-(9-phenylcarbazol-3-yl)pentan-1-one (PubChem CID 140927753) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-(9-phenylcarbazol-3-yl)pentan-1-one.

Molecular Properties

Compound Name1-(9-phenylcarbazol-3-yl)pentan-1-one
PubChem CID140927753
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name1-(9-phenylcarbazol-3-yl)pentan-1-one
SMILESCCCCC(=O)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C23H21NO/c1-2-3-13-23(25)17-14-15-22-20(16-17)19-11-7-8-12-21(19)24(22)18-9-5-4-6-10-18/h4-12,14-16H,2-3,13H2,1H3
InChIKeyCYTNUYLJDGNTER-UHFFFAOYSA-N
XLogP6.16
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(4-carbazol-9-ylphenyl)phenyl]pentan-1-one
CID 140927721
2-oxo-2-(9-phenylcarbazol-3-yl)acetic acid
CID 22287027
1-(9-propylcarbazol-3-yl)butan-1-one
CID 145412526
methyl 9-phenylcarbazole-3-carboxylate
CID 164892004
bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]methanone
CID 102359107
1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]pentan-1-one
CID 144844132
9-ethylcarbazole-3-carboxylic acid
CID 4912869
ethane;1-phenylpentan-1-one
CID 143728184
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
methyl 9-(4-octylphenyl)-6-[9-(4-octylphenyl)carbazole-3-carbonyl]carbazole-3-carboxylate
CID 101462869
(9-pentylcarbazol-3-yl)-phenylmethanone
CID 56651356
9-(4-butylphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 163903365

Frequently Asked Questions

What is the IUPAC name of 1-(9-phenylcarbazol-3-yl)pentan-1-one?
The IUPAC name of 1-(9-phenylcarbazol-3-yl)pentan-1-one (CID 140927753) is 1-(9-phenylcarbazol-3-yl)pentan-1-one.
What is the SMILES notation for 1-(9-phenylcarbazol-3-yl)pentan-1-one?
The canonical SMILES for 1-(9-phenylcarbazol-3-yl)pentan-1-one is CCCCC(=O)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 1-(9-phenylcarbazol-3-yl)pentan-1-one?
The InChIKey is CYTNUYLJDGNTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c1-2-3-13-23(25)17-14-15-22-20(16-17)19-11-7-8-12-21(19)24(22)18-9-5-4-6-10-18/h4-12,14-16H,2-3,13H2,1H3.
What are the key properties of 1-(9-phenylcarbazol-3-yl)pentan-1-one?
1-(9-phenylcarbazol-3-yl)pentan-1-one has a molecular weight of 327.43 g/mol, XLogP of 6.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-phenylcarbazol-3-yl)pentan-1-one is sourced from PubChem (CID 140927753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).