5-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]-10-phenylphenazine

C41H30FN3O — CID 176668914

IUPAC5-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]-10-phenylphenazine
SMILESCOc1ccc(-c2cc(-c3ccc(F)cc3)nc3c(N4c5ccccc5N(c5ccccc5)c5ccccc54)ccc(C)c23)cc1
InChIInChI=1S/C41H30FN3O/c1-27-16-25-39(45-37-14-8-6-12-35(37)44(31-10-4-3-5-11-31)36-13-7-9-15-38(36)45)41-40(27)33(28-19-23-32(46-2)24-20-28)26-34(43-41)29-17-21-30(42)22-18-29/h3-26H,1-2H3
InChIKeyOTQMMBDFBAMNLB-UHFFFAOYSA-N
MW599.71 g/mol
LogP11.28
Rot. Bonds5

About 5-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]-10-phenylphenazine

5-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]-10-phenylphenazine (PubChem CID 176668914) has the molecular formula C41H30FN3O and a molecular weight of 599.71 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]-10-phenylphenazine.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]-10-phenylphenazine
PubChem CID176668914
Molecular FormulaC41H30FN3O
Molecular Weight599.71 g/mol
Exact Mass599.24
IUPAC Name5-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]-10-phenylphenazine
SMILESCOc1ccc(-c2cc(-c3ccc(F)cc3)nc3c(N4c5ccccc5N(c5ccccc5)c5ccccc54)ccc(C)c23)cc1
InChIInChI=1S/C41H30FN3O/c1-27-16-25-39(45-37-14-8-6-12-35(37)44(31-10-4-3-5-11-31)36-13-7-9-15-38(36)45)41-40(27)33(28-19-23-32(46-2)24-20-28)26-34(43-41)29-17-21-30(42)22-18-29/h3-26H,1-2H3
InChIKeyOTQMMBDFBAMNLB-UHFFFAOYSA-N
XLogP11.28
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.71
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-Di(4-methoxyphenyl)quinoxaline
CID 81660
2-(4-Methoxy-phenyl)-3-phenyl-quinoxaline
CID 687304
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
2,3-Bis(p-methoxystyryl)quinoxaline
CID 5473489
2-(2-Methoxyphenyl)-3-phenylquinoxaline
CID 805925
2-(2,5-Dimethoxyphenyl)-3-phenylbenzo[g]quinoxaline
CID 1829912
5-Ethyl-4-methoxy-2-phenylquinoline
CID 10400536
2-[[4-[6-Fluoro-2-(4-fluorophenyl)-3-pyridinyl]phenoxy]methyl]quinoline
CID 122196331
2-[1-(4-Methoxyphenyl)ethenyl]-3-methylquinoxaline
CID 137633966
4-[1-(4-Methoxyphenyl)ethenyl]-2-(trifluoromethyl)quinoline
CID 137649085

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]-10-phenylphenazine?
The IUPAC name of 5-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]-10-phenylphenazine (CID 176668914) is 5-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]-10-phenylphenazine.
What is the SMILES notation for 5-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]-10-phenylphenazine?
The canonical SMILES for 5-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]-10-phenylphenazine is COc1ccc(-c2cc(-c3ccc(F)cc3)nc3c(N4c5ccccc5N(c5ccccc5)c5ccccc54)ccc(C)c23)cc1.
What is the InChIKey of 5-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]-10-phenylphenazine?
The InChIKey is OTQMMBDFBAMNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30FN3O/c1-27-16-25-39(45-37-14-8-6-12-35(37)44(31-10-4-3-5-11-31)36-13-7-9-15-38(36)45)41-40(27)33(28-19-23-32(46-2)24-20-28)26-34(43-41)29-17-21-30(42)22-18-29/h3-26H,1-2H3.
What are the key properties of 5-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]-10-phenylphenazine?
5-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]-10-phenylphenazine has a molecular weight of 599.71 g/mol, XLogP of 11.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]-10-phenylphenazine is sourced from PubChem (CID 176668914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).