1-(9H-fluoren-2-yl)-2-isoquinolin-1-ylethanone

C24H17NO — CID 53443148

IUPAC1-(9H-fluoren-2-yl)-2-isoquinolin-1-ylethanone
SMILESO=C(Cc1nccc2ccccc12)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C24H17NO/c26-24(15-23-22-8-4-1-5-16(22)11-12-25-23)18-9-10-21-19(14-18)13-17-6-2-3-7-20(17)21/h1-12,14H,13,15H2
InChIKeySKZSTAZSMUQOKJ-UHFFFAOYSA-N
MW335.41 g/mol
LogP5.23
Rot. Bonds3

About 1-(9H-fluoren-2-yl)-2-isoquinolin-1-ylethanone

1-(9H-fluoren-2-yl)-2-isoquinolin-1-ylethanone (PubChem CID 53443148) has the molecular formula C24H17NO and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(9H-fluoren-2-yl)-2-isoquinolin-1-ylethanone.

Molecular Properties

Compound Name1-(9H-fluoren-2-yl)-2-isoquinolin-1-ylethanone
PubChem CID53443148
Molecular FormulaC24H17NO
Molecular Weight335.41 g/mol
Exact Mass335.13
IUPAC Name1-(9H-fluoren-2-yl)-2-isoquinolin-1-ylethanone
SMILESO=C(Cc1nccc2ccccc12)c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C24H17NO/c26-24(15-23-22-8-4-1-5-16(22)11-12-25-23)18-9-10-21-19(14-18)13-17-6-2-3-7-20(17)21/h1-12,14H,13,15H2
InChIKeySKZSTAZSMUQOKJ-UHFFFAOYSA-N
XLogP5.23
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.41
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-2-yl)-2-isoquinolin-1-ylethanone?
The IUPAC name of 1-(9H-fluoren-2-yl)-2-isoquinolin-1-ylethanone (CID 53443148) is 1-(9H-fluoren-2-yl)-2-isoquinolin-1-ylethanone.
What is the SMILES notation for 1-(9H-fluoren-2-yl)-2-isoquinolin-1-ylethanone?
The canonical SMILES for 1-(9H-fluoren-2-yl)-2-isoquinolin-1-ylethanone is O=C(Cc1nccc2ccccc12)c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 1-(9H-fluoren-2-yl)-2-isoquinolin-1-ylethanone?
The InChIKey is SKZSTAZSMUQOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO/c26-24(15-23-22-8-4-1-5-16(22)11-12-25-23)18-9-10-21-19(14-18)13-17-6-2-3-7-20(17)21/h1-12,14H,13,15H2.
What are the key properties of 1-(9H-fluoren-2-yl)-2-isoquinolin-1-ylethanone?
1-(9H-fluoren-2-yl)-2-isoquinolin-1-ylethanone has a molecular weight of 335.41 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-2-yl)-2-isoquinolin-1-ylethanone is sourced from PubChem (CID 53443148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).