5-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]-10-phenylphenazine

C41H30FN3O2 — CID 176668899

IUPAC5-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]-10-phenylphenazine
SMILESCOc1cc(OC)cc(-c2cc(-c3ccc(F)cc3)nc3c(N4c5ccccc5N(c5ccccc5)c5ccccc54)cccc23)c1
InChIInChI=1S/C41H30FN3O2/c1-46-31-23-28(24-32(25-31)47-2)34-26-35(27-19-21-29(42)22-20-27)43-41-33(34)13-10-18-40(41)45-38-16-8-6-14-36(38)44(30-11-4-3-5-12-30)37-15-7-9-17-39(37)45/h3-26H,1-2H3
InChIKeyXSRDHQPKDGEEDU-UHFFFAOYSA-N
MW615.71 g/mol
LogP10.98
Rot. Bonds6

About 5-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]-10-phenylphenazine

5-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]-10-phenylphenazine (PubChem CID 176668899) has the molecular formula C41H30FN3O2 and a molecular weight of 615.71 g/mol. Its IUPAC name is 5-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]-10-phenylphenazine.

Molecular Properties

Compound Name5-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]-10-phenylphenazine
PubChem CID176668899
Molecular FormulaC41H30FN3O2
Molecular Weight615.71 g/mol
Exact Mass615.23
IUPAC Name5-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]-10-phenylphenazine
SMILESCOc1cc(OC)cc(-c2cc(-c3ccc(F)cc3)nc3c(N4c5ccccc5N(c5ccccc5)c5ccccc54)cccc23)c1
InChIInChI=1S/C41H30FN3O2/c1-46-31-23-28(24-32(25-31)47-2)34-26-35(27-19-21-29(42)22-20-27)43-41-33(34)13-10-18-40(41)45-38-16-8-6-14-36(38)44(30-11-4-3-5-12-30)37-15-7-9-17-39(37)45/h3-26H,1-2H3
InChIKeyXSRDHQPKDGEEDU-UHFFFAOYSA-N
XLogP10.98
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.71
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(4-tert-butylphenyl)-2-(4-methylphenyl)quinolin-8-yl]-10-phenylphenazine
CID 176668842
10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenothiazine
CID 176669074
5-[4-(3,5-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)quinolin-8-yl]-10-phenylphenazine
CID 176669093
5-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine
CID 176668846
4-[4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoic acid
CID 176669029
5-[2-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]-10-phenylphenazine
CID 176668683
10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenothiazine
CID 176668897
4-[4-(4-methoxyphenyl)-5-methyl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzonitrile
CID 176668684
10-[2-(4-fluorophenyl)-4-thiophen-2-ylquinolin-8-yl]phenoselenazine
CID 176669081
3-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)benzo[f]quinoline
CID 44613761
2,4-bis(4-fluorophenyl)quinoline
CID 19694816
10-[2-(4-fluorophenyl)-5-methyl-4-naphthalen-1-ylquinolin-8-yl]phenoxazine
CID 176669028

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]-10-phenylphenazine?
The IUPAC name of 5-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]-10-phenylphenazine (CID 176668899) is 5-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]-10-phenylphenazine.
What is the SMILES notation for 5-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]-10-phenylphenazine?
The canonical SMILES for 5-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]-10-phenylphenazine is COc1cc(OC)cc(-c2cc(-c3ccc(F)cc3)nc3c(N4c5ccccc5N(c5ccccc5)c5ccccc54)cccc23)c1.
What is the InChIKey of 5-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]-10-phenylphenazine?
The InChIKey is XSRDHQPKDGEEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30FN3O2/c1-46-31-23-28(24-32(25-31)47-2)34-26-35(27-19-21-29(42)22-20-27)43-41-33(34)13-10-18-40(41)45-38-16-8-6-14-36(38)44(30-11-4-3-5-12-30)37-15-7-9-17-39(37)45/h3-26H,1-2H3.
What are the key properties of 5-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]-10-phenylphenazine?
5-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]-10-phenylphenazine has a molecular weight of 615.71 g/mol, XLogP of 10.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]-10-phenylphenazine is sourced from PubChem (CID 176668899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).