[4-[5-(4-fluorophenyl)naphthalen-2-yl]phenyl]-trimethylazanium iodide

C25H23FIN — CID 71579799

IUPAC[4-[5-(4-fluorophenyl)naphthalen-2-yl]phenyl]-trimethylazanium iodide
SMILESC[N+](C)(C)c1ccc(-c2ccc3c(-c4ccc(F)cc4)cccc3c2)cc1.[I-]
InChIInChI=1S/C25H23FN.HI/c1-27(2,3)23-14-9-18(10-15-23)20-11-16-25-21(17-20)5-4-6-24(25)19-7-12-22(26)13-8-19;/h4-17H,1-3H3;1H/q+1;/p-1
InChIKeyKTTOVPLFXRSRSC-UHFFFAOYSA-M
MW483.37 g/mol
LogP3.51
Rot. Bonds3

About [4-[5-(4-fluorophenyl)naphthalen-2-yl]phenyl]-trimethylazanium iodide

[4-[5-(4-fluorophenyl)naphthalen-2-yl]phenyl]-trimethylazanium iodide (PubChem CID 71579799) has the molecular formula C25H23FIN and a molecular weight of 483.37 g/mol. Its IUPAC name is [4-[5-(4-fluorophenyl)naphthalen-2-yl]phenyl]-trimethylazanium iodide.

Molecular Properties

Compound Name[4-[5-(4-fluorophenyl)naphthalen-2-yl]phenyl]-trimethylazanium iodide
PubChem CID71579799
Molecular FormulaC25H23FIN
Molecular Weight483.37 g/mol
Exact Mass483.09
IUPAC Name[4-[5-(4-fluorophenyl)naphthalen-2-yl]phenyl]-trimethylazanium iodide
SMILESC[N+](C)(C)c1ccc(-c2ccc3c(-c4ccc(F)cc4)cccc3c2)cc1.[I-]
InChIInChI=1S/C25H23FN.HI/c1-27(2,3)23-14-9-18(10-15-23)20-11-16-25-21(17-20)5-4-6-24(25)19-7-12-22(26)13-8-19;/h4-17H,1-3H3;1H/q+1;/p-1
InChIKeyKTTOVPLFXRSRSC-UHFFFAOYSA-M
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(4-fluorophenyl)naphthalen-2-yl]phenyl]-trimethylazanium iodide?
The IUPAC name of [4-[5-(4-fluorophenyl)naphthalen-2-yl]phenyl]-trimethylazanium iodide (CID 71579799) is [4-[5-(4-fluorophenyl)naphthalen-2-yl]phenyl]-trimethylazanium iodide.
What is the SMILES notation for [4-[5-(4-fluorophenyl)naphthalen-2-yl]phenyl]-trimethylazanium iodide?
The canonical SMILES for [4-[5-(4-fluorophenyl)naphthalen-2-yl]phenyl]-trimethylazanium iodide is C[N+](C)(C)c1ccc(-c2ccc3c(-c4ccc(F)cc4)cccc3c2)cc1.[I-].
What is the InChIKey of [4-[5-(4-fluorophenyl)naphthalen-2-yl]phenyl]-trimethylazanium iodide?
The InChIKey is KTTOVPLFXRSRSC-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H23FN.HI/c1-27(2,3)23-14-9-18(10-15-23)20-11-16-25-21(17-20)5-4-6-24(25)19-7-12-22(26)13-8-19;/h4-17H,1-3H3;1H/q+1;/p-1.
What are the key properties of [4-[5-(4-fluorophenyl)naphthalen-2-yl]phenyl]-trimethylazanium iodide?
[4-[5-(4-fluorophenyl)naphthalen-2-yl]phenyl]-trimethylazanium iodide has a molecular weight of 483.37 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(4-fluorophenyl)naphthalen-2-yl]phenyl]-trimethylazanium iodide is sourced from PubChem (CID 71579799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).