[9-(5-fluoropentyl)carbazol-3-yl]-naphthalen-1-ylmethanone

C28H24FNO — CID 118796499

IUPAC[9-(5-fluoropentyl)carbazol-3-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1ccc2c(c1)c1ccccc1n2CCCCCF)c1cccc2ccccc12
InChIInChI=1S/C28H24FNO/c29-17-6-1-7-18-30-26-14-5-4-12-23(26)25-19-21(15-16-27(25)30)28(31)24-13-8-10-20-9-2-3-11-22(20)24/h2-5,8-16,19H,1,6-7,17-18H2
InChIKeyLYDDINAZVHIBGP-UHFFFAOYSA-N
MW409.50 g/mol
LogP7.32
Rot. Bonds7

About [9-(5-fluoropentyl)carbazol-3-yl]-naphthalen-1-ylmethanone

[9-(5-fluoropentyl)carbazol-3-yl]-naphthalen-1-ylmethanone (PubChem CID 118796499) has the molecular formula C28H24FNO and a molecular weight of 409.50 g/mol. Its IUPAC name is [9-(5-fluoropentyl)carbazol-3-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[9-(5-fluoropentyl)carbazol-3-yl]-naphthalen-1-ylmethanone
PubChem CID118796499
Molecular FormulaC28H24FNO
Molecular Weight409.50 g/mol
Exact Mass409.18
IUPAC Name[9-(5-fluoropentyl)carbazol-3-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1ccc2c(c1)c1ccccc1n2CCCCCF)c1cccc2ccccc12
InChIInChI=1S/C28H24FNO/c29-17-6-1-7-18-30-26-14-5-4-12-23(26)25-19-21(15-16-27(25)30)28(31)24-13-8-10-20-9-2-3-11-22(20)24/h2-5,8-16,19H,1,6-7,17-18H2
InChIKeyLYDDINAZVHIBGP-UHFFFAOYSA-N
XLogP7.32
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.50
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [9-(5-fluoropentyl)carbazol-3-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [9-(5-fluoropentyl)carbazol-3-yl]-naphthalen-1-ylmethanone (CID 118796499) is [9-(5-fluoropentyl)carbazol-3-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [9-(5-fluoropentyl)carbazol-3-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [9-(5-fluoropentyl)carbazol-3-yl]-naphthalen-1-ylmethanone is O=C(c1ccc2c(c1)c1ccccc1n2CCCCCF)c1cccc2ccccc12.
What is the InChIKey of [9-(5-fluoropentyl)carbazol-3-yl]-naphthalen-1-ylmethanone?
The InChIKey is LYDDINAZVHIBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FNO/c29-17-6-1-7-18-30-26-14-5-4-12-23(26)25-19-21(15-16-27(25)30)28(31)24-13-8-10-20-9-2-3-11-22(20)24/h2-5,8-16,19H,1,6-7,17-18H2.
What are the key properties of [9-(5-fluoropentyl)carbazol-3-yl]-naphthalen-1-ylmethanone?
[9-(5-fluoropentyl)carbazol-3-yl]-naphthalen-1-ylmethanone has a molecular weight of 409.50 g/mol, XLogP of 7.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(5-fluoropentyl)carbazol-3-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 118796499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).