[4-(2-fluoro-7-methyl-9-phenylacridin-10-ium-10-yl)phenyl]phosphane

C26H20FNP+ — CID 175626259

IUPAC[4-(2-fluoro-7-methyl-9-phenylacridin-10-ium-10-yl)phenyl]phosphane
SMILESCc1ccc2c(c1)c(-c1ccccc1)c1cc(F)ccc1[n+]2-c1ccc(P)cc1
InChIInChI=1S/C26H20FNP/c1-17-7-13-24-22(15-17)26(18-5-3-2-4-6-18)23-16-19(27)8-14-25(23)28(24)20-9-11-21(29)12-10-20/h2-16H,29H2,1H3/q+1
InChIKeyFIQVUSNFIPABLI-UHFFFAOYSA-N
MW396.43 g/mol
LogP5.88
Rot. Bonds2

About [4-(2-fluoro-7-methyl-9-phenylacridin-10-ium-10-yl)phenyl]phosphane

[4-(2-fluoro-7-methyl-9-phenylacridin-10-ium-10-yl)phenyl]phosphane (PubChem CID 175626259) has the molecular formula C26H20FNP+ and a molecular weight of 396.43 g/mol. Its IUPAC name is [4-(2-fluoro-7-methyl-9-phenylacridin-10-ium-10-yl)phenyl]phosphane.

Molecular Properties

Compound Name[4-(2-fluoro-7-methyl-9-phenylacridin-10-ium-10-yl)phenyl]phosphane
PubChem CID175626259
Molecular FormulaC26H20FNP+
Molecular Weight396.43 g/mol
Exact Mass396.13
IUPAC Name[4-(2-fluoro-7-methyl-9-phenylacridin-10-ium-10-yl)phenyl]phosphane
SMILESCc1ccc2c(c1)c(-c1ccccc1)c1cc(F)ccc1[n+]2-c1ccc(P)cc1
InChIInChI=1S/C26H20FNP/c1-17-7-13-24-22(15-17)26(18-5-3-2-4-6-18)23-16-19(27)8-14-25(23)28(24)20-9-11-21(29)12-10-20/h2-16H,29H2,1H3/q+1
InChIKeyFIQVUSNFIPABLI-UHFFFAOYSA-N
XLogP5.88
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.43
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluoro-7-methyl-9-phenylacridin-10-ium-10-yl)phenyl]phosphane?
The IUPAC name of [4-(2-fluoro-7-methyl-9-phenylacridin-10-ium-10-yl)phenyl]phosphane (CID 175626259) is [4-(2-fluoro-7-methyl-9-phenylacridin-10-ium-10-yl)phenyl]phosphane.
What is the SMILES notation for [4-(2-fluoro-7-methyl-9-phenylacridin-10-ium-10-yl)phenyl]phosphane?
The canonical SMILES for [4-(2-fluoro-7-methyl-9-phenylacridin-10-ium-10-yl)phenyl]phosphane is Cc1ccc2c(c1)c(-c1ccccc1)c1cc(F)ccc1[n+]2-c1ccc(P)cc1.
What is the InChIKey of [4-(2-fluoro-7-methyl-9-phenylacridin-10-ium-10-yl)phenyl]phosphane?
The InChIKey is FIQVUSNFIPABLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FNP/c1-17-7-13-24-22(15-17)26(18-5-3-2-4-6-18)23-16-19(27)8-14-25(23)28(24)20-9-11-21(29)12-10-20/h2-16H,29H2,1H3/q+1.
What are the key properties of [4-(2-fluoro-7-methyl-9-phenylacridin-10-ium-10-yl)phenyl]phosphane?
[4-(2-fluoro-7-methyl-9-phenylacridin-10-ium-10-yl)phenyl]phosphane has a molecular weight of 396.43 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluoro-7-methyl-9-phenylacridin-10-ium-10-yl)phenyl]phosphane is sourced from PubChem (CID 175626259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).