(9-ethylcarbazol-3-yl)-(4-fluorophenyl)methanone

C21H16FNO — CID 59536955

IUPAC(9-ethylcarbazol-3-yl)-(4-fluorophenyl)methanone
SMILESCCn1c2ccccc2c2cc(C(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C21H16FNO/c1-2-23-19-6-4-3-5-17(19)18-13-15(9-12-20(18)23)21(24)14-7-10-16(22)11-8-14/h3-13H,2H2,1H3
InChIKeyBCOJHFLANMVQSY-UHFFFAOYSA-N
MW317.36 g/mol
LogP5.18
Rot. Bonds3

About (9-ethylcarbazol-3-yl)-(4-fluorophenyl)methanone

(9-ethylcarbazol-3-yl)-(4-fluorophenyl)methanone (PubChem CID 59536955) has the molecular formula C21H16FNO and a molecular weight of 317.36 g/mol. Its IUPAC name is (9-ethylcarbazol-3-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(9-ethylcarbazol-3-yl)-(4-fluorophenyl)methanone
PubChem CID59536955
Molecular FormulaC21H16FNO
Molecular Weight317.36 g/mol
Exact Mass317.12
IUPAC Name(9-ethylcarbazol-3-yl)-(4-fluorophenyl)methanone
SMILESCCn1c2ccccc2c2cc(C(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C21H16FNO/c1-2-23-19-6-4-3-5-17(19)18-13-15(9-12-20(18)23)21(24)14-7-10-16(22)11-8-14/h3-13H,2H2,1H3
InChIKeyBCOJHFLANMVQSY-UHFFFAOYSA-N
XLogP5.18
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.36
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (9-ethylcarbazol-3-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (9-ethylcarbazol-3-yl)-(4-fluorophenyl)methanone (CID 59536955) is (9-ethylcarbazol-3-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (9-ethylcarbazol-3-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (9-ethylcarbazol-3-yl)-(4-fluorophenyl)methanone is CCn1c2ccccc2c2cc(C(=O)c3ccc(F)cc3)ccc21.
What is the InChIKey of (9-ethylcarbazol-3-yl)-(4-fluorophenyl)methanone?
The InChIKey is BCOJHFLANMVQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO/c1-2-23-19-6-4-3-5-17(19)18-13-15(9-12-20(18)23)21(24)14-7-10-16(22)11-8-14/h3-13H,2H2,1H3.
What are the key properties of (9-ethylcarbazol-3-yl)-(4-fluorophenyl)methanone?
(9-ethylcarbazol-3-yl)-(4-fluorophenyl)methanone has a molecular weight of 317.36 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9-ethylcarbazol-3-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 59536955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).