[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl] thiophene-2-sulfinate

C27H17FN2O2S2 — CID 143364296

IUPAC[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl] thiophene-2-sulfinate
SMILESO=S(Oc1ccc2[nH]c3ncc(-c4ccc(F)cc4)c(-c4ccccc4)c3c2c1)c1cccs1
InChIInChI=1S/C27H17FN2O2S2/c28-19-10-8-17(9-11-19)22-16-29-27-26(25(22)18-5-2-1-3-6-18)21-15-20(12-13-23(21)30-27)32-34(31)24-7-4-14-33-24/h1-16H,(H,29,30)
InChIKeyOZLUYYLLVTVPRL-UHFFFAOYSA-N
MW484.58 g/mol
LogP7.35
Rot. Bonds5

About [3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl] thiophene-2-sulfinate

[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl] thiophene-2-sulfinate (PubChem CID 143364296) has the molecular formula C27H17FN2O2S2 and a molecular weight of 484.58 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl] thiophene-2-sulfinate.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl] thiophene-2-sulfinate
PubChem CID143364296
Molecular FormulaC27H17FN2O2S2
Molecular Weight484.58 g/mol
Exact Mass484.07
IUPAC Name[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl] thiophene-2-sulfinate
SMILESO=S(Oc1ccc2[nH]c3ncc(-c4ccc(F)cc4)c(-c4ccccc4)c3c2c1)c1cccs1
InChIInChI=1S/C27H17FN2O2S2/c28-19-10-8-17(9-11-19)22-16-29-27-26(25(22)18-5-2-1-3-6-18)21-15-20(12-13-23(21)30-27)32-34(31)24-7-4-14-33-24/h1-16H,(H,29,30)
InChIKeyOZLUYYLLVTVPRL-UHFFFAOYSA-N
XLogP7.35
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.58
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl] thiophene-2-sulfinate 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 [3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl] thiophene-2-sulfinate?
The IUPAC name of [3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl] thiophene-2-sulfinate (CID 143364296) is [3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl] thiophene-2-sulfinate.
What is the SMILES notation for [3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl] thiophene-2-sulfinate?
The canonical SMILES for [3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl] thiophene-2-sulfinate is O=S(Oc1ccc2[nH]c3ncc(-c4ccc(F)cc4)c(-c4ccccc4)c3c2c1)c1cccs1.
What is the InChIKey of [3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl] thiophene-2-sulfinate?
The InChIKey is OZLUYYLLVTVPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17FN2O2S2/c28-19-10-8-17(9-11-19)22-16-29-27-26(25(22)18-5-2-1-3-6-18)21-15-20(12-13-23(21)30-27)32-34(31)24-7-4-14-33-24/h1-16H,(H,29,30).
What are the key properties of [3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl] thiophene-2-sulfinate?
[3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl] thiophene-2-sulfinate has a molecular weight of 484.58 g/mol, XLogP of 7.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-4-phenyl-9H-pyrido[2,3-b]indol-6-yl] thiophene-2-sulfinate is sourced from PubChem (CID 143364296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).