10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenothiazine

C33H21FN2S — CID 176669074

IUPAC10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenothiazine
SMILESFc1ccc(-c2cc(-c3ccccc3)c3cccc(N4c5ccccc5Sc5ccccc54)c3n2)cc1
InChIInChI=1S/C33H21FN2S/c34-24-19-17-23(18-20-24)27-21-26(22-9-2-1-3-10-22)25-11-8-14-30(33(25)35-27)36-28-12-4-6-15-31(28)37-32-16-7-5-13-29(32)36/h1-21H
InChIKeyVACDWAFXCTYQKF-UHFFFAOYSA-N
MW496.61 g/mol
LogP9.64
Rot. Bonds3

About 10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenothiazine

10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenothiazine (PubChem CID 176669074) has the molecular formula C33H21FN2S and a molecular weight of 496.61 g/mol. Its IUPAC name is 10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenothiazine.

Molecular Properties

Compound Name10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenothiazine
PubChem CID176669074
Molecular FormulaC33H21FN2S
Molecular Weight496.61 g/mol
Exact Mass496.14
IUPAC Name10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenothiazine
SMILESFc1ccc(-c2cc(-c3ccccc3)c3cccc(N4c5ccccc5Sc5ccccc54)c3n2)cc1
InChIInChI=1S/C33H21FN2S/c34-24-19-17-23(18-20-24)27-21-26(22-9-2-1-3-10-22)25-11-8-14-30(33(25)35-27)36-28-12-4-6-15-31(28)37-32-16-7-5-13-29(32)36/h1-21H
InChIKeyVACDWAFXCTYQKF-UHFFFAOYSA-N
XLogP9.64
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenothiazine
CID 176668897
5-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]-10-phenylphenazine
CID 176668899
10-[5-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine
CID 176668748
10-[2-(4-fluorophenyl)-4-thiophen-2-ylquinolin-8-yl]phenoselenazine
CID 176669081
4-(8-phenoselenazin-10-yl-4-phenylquinolin-2-yl)benzonitrile
CID 176669075
2,4-bis(4-fluorophenyl)quinoline
CID 19694816
10-[3,7-bis(2,6-diphenylpyrimidin-4-yl)-5-phenothiazin-10-ylnaphthalen-1-yl]phenothiazine
CID 129290643
5-[4-(4-tert-butylphenyl)-2-(4-methylphenyl)quinolin-8-yl]-10-phenylphenazine
CID 176668842
2,4,7,9-tetraphenyl-1,10-phenanthroline
CID 15567799
4-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline
CID 56807096
10-[9-(4-naphthalen-1-ylphenyl)-6-phenothiazin-10-yl-10-phenylanthracen-2-yl]phenothiazine
CID 59220211
5-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine
CID 176668846

Frequently Asked Questions

What is the IUPAC name of 10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenothiazine?
The IUPAC name of 10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenothiazine (CID 176669074) is 10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenothiazine.
What is the SMILES notation for 10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenothiazine?
The canonical SMILES for 10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenothiazine is Fc1ccc(-c2cc(-c3ccccc3)c3cccc(N4c5ccccc5Sc5ccccc54)c3n2)cc1.
What is the InChIKey of 10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenothiazine?
The InChIKey is VACDWAFXCTYQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21FN2S/c34-24-19-17-23(18-20-24)27-21-26(22-9-2-1-3-10-22)25-11-8-14-30(33(25)35-27)36-28-12-4-6-15-31(28)37-32-16-7-5-13-29(32)36/h1-21H.
What are the key properties of 10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenothiazine?
10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenothiazine has a molecular weight of 496.61 g/mol, XLogP of 9.64, 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-phenylquinolin-8-yl]phenothiazine is sourced from PubChem (CID 176669074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).