1-(9H-carbazol-1-yl)-3-phenylpropan-1-one

C21H17NO — CID 2793732

IUPAC1-(9H-carbazol-1-yl)-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C21H17NO/c23-20(14-13-15-7-2-1-3-8-15)18-11-6-10-17-16-9-4-5-12-19(16)22-21(17)18/h1-12,22H,13-14H2
InChIKeyZJRDZTWWYGGOBX-UHFFFAOYSA-N
MW299.37 g/mol
LogP5.14
Rot. Bonds4

About 1-(9H-carbazol-1-yl)-3-phenylpropan-1-one

1-(9H-carbazol-1-yl)-3-phenylpropan-1-one (PubChem CID 2793732) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-(9H-carbazol-1-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(9H-carbazol-1-yl)-3-phenylpropan-1-one
PubChem CID2793732
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name1-(9H-carbazol-1-yl)-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C21H17NO/c23-20(14-13-15-7-2-1-3-8-15)18-11-6-10-17-16-9-4-5-12-19(16)22-21(17)18/h1-12,22H,13-14H2
InChIKeyZJRDZTWWYGGOBX-UHFFFAOYSA-N
XLogP5.14
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.37
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(9H-carbazol-1-yl)heptan-1-one
CID 174653122
1-naphthalen-1-yl-3-phenylpropan-1-one
CID 20764678
2-(9H-carbazole-1-carbonyl)benzoic acid
CID 54401477
9H-carbazole-1-carboxamide;hydrochloride
CID 141272518
9H-carbazole-1-carboxylic acid;methyl 9H-carbazole-1-carboxylate
CID 175444407
benzyl(9H-carbazol-1-yl)carbamothioic S-acid
CID 23169616
1-[3-fluoro-2-(trifluoromethyl)phenyl]-3-phenylpropan-1-one
CID 146009039
9H-carbazole;carbonic acid
CID 67577328
1-(3-amino-2-methylphenyl)-3-phenylpropan-1-one
CID 116604350
1-(3-fluoro-2-methylphenyl)-3-phenylpropan-1-one
CID 146006893
5-(9H-carbazol-1-yl)pentane-2,3-dione
CID 142696076
9H-carbazole;[2-(9H-carbazol-1-yl)phenyl]-phenylmethanone
CID 175398027

Frequently Asked Questions

What is the IUPAC name of 1-(9H-carbazol-1-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(9H-carbazol-1-yl)-3-phenylpropan-1-one (CID 2793732) is 1-(9H-carbazol-1-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(9H-carbazol-1-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(9H-carbazol-1-yl)-3-phenylpropan-1-one is O=C(CCc1ccccc1)c1cccc2c1[nH]c1ccccc12.
What is the InChIKey of 1-(9H-carbazol-1-yl)-3-phenylpropan-1-one?
The InChIKey is ZJRDZTWWYGGOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO/c23-20(14-13-15-7-2-1-3-8-15)18-11-6-10-17-16-9-4-5-12-19(16)22-21(17)18/h1-12,22H,13-14H2.
What are the key properties of 1-(9H-carbazol-1-yl)-3-phenylpropan-1-one?
1-(9H-carbazol-1-yl)-3-phenylpropan-1-one has a molecular weight of 299.37 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-carbazol-1-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 2793732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).