8-(4-decoxy-3-fluorophenyl)-6-fluoro-3-hexoxyphenanthridine

C35H43F2NO2 — CID 23295411

IUPAC8-(4-decoxy-3-fluorophenyl)-6-fluoro-3-hexoxyphenanthridine
SMILESCCCCCCCCCCOc1ccc(-c2ccc3c(c2)c(F)nc2cc(OCCCCCC)ccc23)cc1F
InChIInChI=1S/C35H43F2NO2/c1-3-5-7-9-10-11-12-14-22-40-34-20-16-27(24-32(34)36)26-15-18-29-30-19-17-28(39-21-13-8-6-4-2)25-33(30)38-35(37)31(29)23-26/h15-20,23-25H,3-14,21-22H2,1-2H3
InChIKeyDQOGCEFKQIDWBG-UHFFFAOYSA-N
MW547.73 g/mol
LogP10.81
Rot. Bonds17

About 8-(4-decoxy-3-fluorophenyl)-6-fluoro-3-hexoxyphenanthridine

8-(4-decoxy-3-fluorophenyl)-6-fluoro-3-hexoxyphenanthridine (PubChem CID 23295411) has the molecular formula C35H43F2NO2 and a molecular weight of 547.73 g/mol. Its IUPAC name is 8-(4-decoxy-3-fluorophenyl)-6-fluoro-3-hexoxyphenanthridine.

Molecular Properties

Compound Name8-(4-decoxy-3-fluorophenyl)-6-fluoro-3-hexoxyphenanthridine
PubChem CID23295411
Molecular FormulaC35H43F2NO2
Molecular Weight547.73 g/mol
Exact Mass547.33
IUPAC Name8-(4-decoxy-3-fluorophenyl)-6-fluoro-3-hexoxyphenanthridine
SMILESCCCCCCCCCCOc1ccc(-c2ccc3c(c2)c(F)nc2cc(OCCCCCC)ccc23)cc1F
InChIInChI=1S/C35H43F2NO2/c1-3-5-7-9-10-11-12-14-22-40-34-20-16-27(24-32(34)36)26-15-18-29-30-19-17-28(39-21-13-8-6-4-2)25-33(30)38-35(37)31(29)23-26/h15-20,23-25H,3-14,21-22H2,1-2H3
InChIKeyDQOGCEFKQIDWBG-UHFFFAOYSA-N
XLogP10.81
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.73
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8-(4-decoxy-3-fluorophenyl)-6-fluoro-3-hexoxyphenanthridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(4-decoxy-3-fluorophenyl)-6-fluoro-3-hexoxyphenanthridine?
The IUPAC name of 8-(4-decoxy-3-fluorophenyl)-6-fluoro-3-hexoxyphenanthridine (CID 23295411) is 8-(4-decoxy-3-fluorophenyl)-6-fluoro-3-hexoxyphenanthridine.
What is the SMILES notation for 8-(4-decoxy-3-fluorophenyl)-6-fluoro-3-hexoxyphenanthridine?
The canonical SMILES for 8-(4-decoxy-3-fluorophenyl)-6-fluoro-3-hexoxyphenanthridine is CCCCCCCCCCOc1ccc(-c2ccc3c(c2)c(F)nc2cc(OCCCCCC)ccc23)cc1F.
What is the InChIKey of 8-(4-decoxy-3-fluorophenyl)-6-fluoro-3-hexoxyphenanthridine?
The InChIKey is DQOGCEFKQIDWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43F2NO2/c1-3-5-7-9-10-11-12-14-22-40-34-20-16-27(24-32(34)36)26-15-18-29-30-19-17-28(39-21-13-8-6-4-2)25-33(30)38-35(37)31(29)23-26/h15-20,23-25H,3-14,21-22H2,1-2H3.
What are the key properties of 8-(4-decoxy-3-fluorophenyl)-6-fluoro-3-hexoxyphenanthridine?
8-(4-decoxy-3-fluorophenyl)-6-fluoro-3-hexoxyphenanthridine has a molecular weight of 547.73 g/mol, XLogP of 10.81, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-decoxy-3-fluorophenyl)-6-fluoro-3-hexoxyphenanthridine is sourced from PubChem (CID 23295411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).