10-[2-(4-fluorophenyl)-4-thiophen-2-ylquinolin-8-yl]phenoselenazine

C31H19FN2SSe — CID 176669081

IUPAC10-[2-(4-fluorophenyl)-4-thiophen-2-ylquinolin-8-yl]phenoselenazine
SMILESFc1ccc(-c2cc(-c3cccs3)c3cccc(N4c5ccccc5[Se]c5ccccc54)c3n2)cc1
InChIInChI=1S/C31H19FN2SSe/c32-21-16-14-20(15-17-21)24-19-23(28-11-6-18-35-28)22-7-5-10-27(31(22)33-24)34-25-8-1-3-12-29(25)36-30-13-4-2-9-26(30)34/h1-19H
InChIKeyHQSIWLNBOZQIFI-UHFFFAOYSA-N
MW549.53 g/mol
LogP7.21
Rot. Bonds3

About 10-[2-(4-fluorophenyl)-4-thiophen-2-ylquinolin-8-yl]phenoselenazine

10-[2-(4-fluorophenyl)-4-thiophen-2-ylquinolin-8-yl]phenoselenazine (PubChem CID 176669081) has the molecular formula C31H19FN2SSe and a molecular weight of 549.53 g/mol. Its IUPAC name is 10-[2-(4-fluorophenyl)-4-thiophen-2-ylquinolin-8-yl]phenoselenazine.

Molecular Properties

Compound Name10-[2-(4-fluorophenyl)-4-thiophen-2-ylquinolin-8-yl]phenoselenazine
PubChem CID176669081
Molecular FormulaC31H19FN2SSe
Molecular Weight549.53 g/mol
Exact Mass550.04
IUPAC Name10-[2-(4-fluorophenyl)-4-thiophen-2-ylquinolin-8-yl]phenoselenazine
SMILESFc1ccc(-c2cc(-c3cccs3)c3cccc(N4c5ccccc5[Se]c5ccccc54)c3n2)cc1
InChIInChI=1S/C31H19FN2SSe/c32-21-16-14-20(15-17-21)24-19-23(28-11-6-18-35-28)22-7-5-10-27(31(22)33-24)34-25-8-1-3-12-29(25)36-30-13-4-2-9-26(30)34/h1-19H
InChIKeyHQSIWLNBOZQIFI-UHFFFAOYSA-N
XLogP7.21
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.53
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]-10-phenylphenazine
CID 176668683
10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenothiazine
CID 176669074
4-(8-phenoselenazin-10-yl-4-phenylquinolin-2-yl)benzonitrile
CID 176669075
8-methyl-2-phenyl-4-thiophen-2-ylquinoline
CID 174885193
5-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]-10-phenylphenazine
CID 176668899
2-phenyl-4-thiophen-2-yl-5H-pyrido[3,2-b]indole
CID 132573446
5-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine
CID 176668846
10-[2-(4-fluorophenyl)-5-methyl-4-naphthalen-1-ylquinolin-8-yl]phenoxazine
CID 176669028
5-[4-(4-tert-butylphenyl)-2-(4-methylphenyl)quinolin-8-yl]-10-phenylphenazine
CID 176668842
(2-phenyl-8-thiophen-2-ylquinolin-4-yl)-piperazin-1-ylmethanone
CID 162644748
2,4-bis(4-fluorophenyl)quinoline
CID 19694816
10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenothiazine
CID 176668897

Frequently Asked Questions

What is the IUPAC name of 10-[2-(4-fluorophenyl)-4-thiophen-2-ylquinolin-8-yl]phenoselenazine?
The IUPAC name of 10-[2-(4-fluorophenyl)-4-thiophen-2-ylquinolin-8-yl]phenoselenazine (CID 176669081) is 10-[2-(4-fluorophenyl)-4-thiophen-2-ylquinolin-8-yl]phenoselenazine.
What is the SMILES notation for 10-[2-(4-fluorophenyl)-4-thiophen-2-ylquinolin-8-yl]phenoselenazine?
The canonical SMILES for 10-[2-(4-fluorophenyl)-4-thiophen-2-ylquinolin-8-yl]phenoselenazine is Fc1ccc(-c2cc(-c3cccs3)c3cccc(N4c5ccccc5[Se]c5ccccc54)c3n2)cc1.
What is the InChIKey of 10-[2-(4-fluorophenyl)-4-thiophen-2-ylquinolin-8-yl]phenoselenazine?
The InChIKey is HQSIWLNBOZQIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19FN2SSe/c32-21-16-14-20(15-17-21)24-19-23(28-11-6-18-35-28)22-7-5-10-27(31(22)33-24)34-25-8-1-3-12-29(25)36-30-13-4-2-9-26(30)34/h1-19H.
What are the key properties of 10-[2-(4-fluorophenyl)-4-thiophen-2-ylquinolin-8-yl]phenoselenazine?
10-[2-(4-fluorophenyl)-4-thiophen-2-ylquinolin-8-yl]phenoselenazine has a molecular weight of 549.53 g/mol, XLogP of 7.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(4-fluorophenyl)-4-thiophen-2-ylquinolin-8-yl]phenoselenazine is sourced from PubChem (CID 176669081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).