5-[4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine

C41H28F3N3O — CID 176668643

IUPAC5-[4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine
SMILESCOc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5N(c5ccccc5)c5ccccc54)cccc23)cc1
InChIInChI=1S/C41H28F3N3O/c1-48-31-24-20-27(21-25-31)33-26-34(28-18-22-29(23-19-28)41(42,43)44)45-40-32(33)12-9-17-39(40)47-37-15-7-5-13-35(37)46(30-10-3-2-4-11-30)36-14-6-8-16-38(36)47/h2-26H,1H3
InChIKeyNZQLKWXYZCKKRG-UHFFFAOYSA-N
MW635.69 g/mol
LogP11.85
Rot. Bonds5

About 5-[4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine

5-[4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine (PubChem CID 176668643) has the molecular formula C41H28F3N3O and a molecular weight of 635.69 g/mol. Its IUPAC name is 5-[4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine.

Molecular Properties

Compound Name5-[4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine
PubChem CID176668643
Molecular FormulaC41H28F3N3O
Molecular Weight635.69 g/mol
Exact Mass635.22
IUPAC Name5-[4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine
SMILESCOc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5N(c5ccccc5)c5ccccc54)cccc23)cc1
InChIInChI=1S/C41H28F3N3O/c1-48-31-24-20-27(21-25-31)33-26-34(28-18-22-29(23-19-28)41(42,43)44)45-40-32(33)12-9-17-39(40)47-37-15-7-5-13-35(37)46(30-10-3-2-4-11-30)36-14-6-8-16-38(36)47/h2-26H,1H3
InChIKeyNZQLKWXYZCKKRG-UHFFFAOYSA-N
XLogP11.85
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.69
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-Di(4-methoxyphenyl)quinoxaline
CID 81660
Quinoxaline, 2,3-bis(2-methoxyphenyl)-
CID 774402
2-(4-Methoxy-phenyl)-3-phenyl-quinoxaline
CID 687304
7-(3-Methoxyphenyl)-2-methylquinoline
CID 44432660
4-[1-(4-Methoxyphenyl)ethenyl]-2-methylquinoline
CID 91971313
3-(2-Methoxyphenyl)-2-phenylbenzo[g]quinoxaline
CID 1983598
Quinoxaline, 2,3-bis(4-methoxyphenyl)-6-methyl-
CID 215802
3-(4-Methoxyphenyl)-3-(2-methylquinolin-4-yl)prop-2-enenitrile
CID 137646340
2-[2-(4-Methoxyphenyl)ethyl]quinoline
CID 223220
2,3-Bis(p-methoxystyryl)quinoxaline
CID 5473489
2-(2-Methoxyphenyl)-3-phenylquinoxaline
CID 805925
2-[[4-[6-Fluoro-2-(4-fluorophenyl)-3-pyridinyl]phenoxy]methyl]quinoline
CID 122196331

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine?
The IUPAC name of 5-[4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine (CID 176668643) is 5-[4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine.
What is the SMILES notation for 5-[4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine?
The canonical SMILES for 5-[4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine is COc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc3c(N4c5ccccc5N(c5ccccc5)c5ccccc54)cccc23)cc1.
What is the InChIKey of 5-[4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine?
The InChIKey is NZQLKWXYZCKKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28F3N3O/c1-48-31-24-20-27(21-25-31)33-26-34(28-18-22-29(23-19-28)41(42,43)44)45-40-32(33)12-9-17-39(40)47-37-15-7-5-13-35(37)46(30-10-3-2-4-11-30)36-14-6-8-16-38(36)47/h2-26H,1H3.
What are the key properties of 5-[4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine?
5-[4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine has a molecular weight of 635.69 g/mol, XLogP of 11.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine is sourced from PubChem (CID 176668643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).