2-(4-methylphenyl)-4-phenyl-6-[4-phenyl-2-[4-[4-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]phenoxy]phenyl]quinolin-6-yl]quinoline

C58H41F3N2O2 — CID 142951872

IUPAC2-(4-methylphenyl)-4-phenyl-6-[4-phenyl-2-[4-[4-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]phenoxy]phenyl]quinolin-6-yl]quinoline
SMILESCOc1ccc(C(c2ccc(Oc3ccc(-c4cc(-c5ccccc5)c5cc(-c6ccc7nc(-c8ccc(C)cc8)cc(-c8ccccc8)c7c6)ccc5n4)cc3)cc2)C(F)(F)F)cc1
InChIInChI=1S/C58H41F3N2O2/c1-37-13-15-40(16-14-37)55-35-49(38-9-5-3-6-10-38)51-33-44(23-31-53(51)62-55)45-24-32-54-52(34-45)50(39-11-7-4-8-12-39)36-56(63-54)41-17-27-47(28-18-41)65-48-29-21-43(22-30-48)57(58(59,60)61)42-19-25-46(64-2)26-20-42/h3-36,57H,1-2H3
InChIKeyGURIRSUUJWSQKN-UHFFFAOYSA-N
MW854.97 g/mol
LogP15.92
Rot. Bonds10

About 2-(4-methylphenyl)-4-phenyl-6-[4-phenyl-2-[4-[4-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]phenoxy]phenyl]quinolin-6-yl]quinoline

2-(4-methylphenyl)-4-phenyl-6-[4-phenyl-2-[4-[4-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]phenoxy]phenyl]quinolin-6-yl]quinoline (PubChem CID 142951872) has the molecular formula C58H41F3N2O2 and a molecular weight of 854.97 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-phenyl-6-[4-phenyl-2-[4-[4-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]phenoxy]phenyl]quinolin-6-yl]quinoline.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-phenyl-6-[4-phenyl-2-[4-[4-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]phenoxy]phenyl]quinolin-6-yl]quinoline
PubChem CID142951872
Molecular FormulaC58H41F3N2O2
Molecular Weight854.97 g/mol
Exact Mass854.31
IUPAC Name2-(4-methylphenyl)-4-phenyl-6-[4-phenyl-2-[4-[4-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]phenoxy]phenyl]quinolin-6-yl]quinoline
SMILESCOc1ccc(C(c2ccc(Oc3ccc(-c4cc(-c5ccccc5)c5cc(-c6ccc7nc(-c8ccc(C)cc8)cc(-c8ccccc8)c7c6)ccc5n4)cc3)cc2)C(F)(F)F)cc1
InChIInChI=1S/C58H41F3N2O2/c1-37-13-15-40(16-14-37)55-35-49(38-9-5-3-6-10-38)51-33-44(23-31-53(51)62-55)45-24-32-54-52(34-45)50(39-11-7-4-8-12-39)36-56(63-54)41-17-27-47(28-18-41)65-48-29-21-43(22-30-48)57(58(59,60)61)42-19-25-46(64-2)26-20-42/h3-36,57H,1-2H3
InChIKeyGURIRSUUJWSQKN-UHFFFAOYSA-N
XLogP15.92
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.97
LogP ≤ 515.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-methylphenyl)-4-phenyl-6-[4-phenyl-2-[4-[4-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]phenoxy]phenyl]quinolin-6-yl]quinoline with MolForge

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Related Compounds

4-(4-((8-(3-(Difluoromethoxy)phenyl)quinolin-6-yl)methoxy)phenyl)-2-methylbutan-2-ol
CID 46933992
3-(4-((8-(3-(Difluoromethoxy)phenyl)quinolin-6-yl)methoxy)phenyl)propanenitrile
CID 49865643
1,1-Bis(4-(2-quinolylmethoxy)phenyl)ethanol
CID 10625577
4,4-Bis(4-(2-quinolylmethoxy)phenyl)pentan-1-ol
CID 10769106
13-(4-Ethoxyphenyl)-7-methyl-12-aza-11-azoniapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1,3,5(10),6,8,11,13,15,17,19,21-undecaene
CID 10251284
9-(4-Ethoxyphenyl)-6-methyl-8-aza-7-azoniatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15,17-nonaene
CID 44269959
2-((4-(2-(4-(Quinolin-2-ylmethoxy)phenyl)bicyclo[2.2.1]heptan-2-yl)phenoxy)methyl)quinoline
CID 44447697
3-(4-((8-(3-(Trifluoromethoxy)phenyl)quinolin-6-yl)methoxy)phenyl)propanenitrile
CID 49865603
8-(3-Methoxyphenyl)-6-((4-(trifluoromethyl)phenoxy)methyl)quinoline
CID 49866271
6-Fluoro-2,3-bis{4-[2-(piperidin-1-yl)ethoxy]phenyl} quinoline
CID 52918170
2-[[4-[6-Fluoro-2-(4-fluorophenyl)-3-pyridinyl]phenoxy]methyl]quinoline
CID 122196331
[6-(4-Fluorophenyl)-5-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]methanol
CID 122196335

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4-phenyl-6-[4-phenyl-2-[4-[4-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]phenoxy]phenyl]quinolin-6-yl]quinoline?
The IUPAC name of 2-(4-methylphenyl)-4-phenyl-6-[4-phenyl-2-[4-[4-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]phenoxy]phenyl]quinolin-6-yl]quinoline (CID 142951872) is 2-(4-methylphenyl)-4-phenyl-6-[4-phenyl-2-[4-[4-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]phenoxy]phenyl]quinolin-6-yl]quinoline.
What is the SMILES notation for 2-(4-methylphenyl)-4-phenyl-6-[4-phenyl-2-[4-[4-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]phenoxy]phenyl]quinolin-6-yl]quinoline?
The canonical SMILES for 2-(4-methylphenyl)-4-phenyl-6-[4-phenyl-2-[4-[4-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]phenoxy]phenyl]quinolin-6-yl]quinoline is COc1ccc(C(c2ccc(Oc3ccc(-c4cc(-c5ccccc5)c5cc(-c6ccc7nc(-c8ccc(C)cc8)cc(-c8ccccc8)c7c6)ccc5n4)cc3)cc2)C(F)(F)F)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4-phenyl-6-[4-phenyl-2-[4-[4-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]phenoxy]phenyl]quinolin-6-yl]quinoline?
The InChIKey is GURIRSUUJWSQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41F3N2O2/c1-37-13-15-40(16-14-37)55-35-49(38-9-5-3-6-10-38)51-33-44(23-31-53(51)62-55)45-24-32-54-52(34-45)50(39-11-7-4-8-12-39)36-56(63-54)41-17-27-47(28-18-41)65-48-29-21-43(22-30-48)57(58(59,60)61)42-19-25-46(64-2)26-20-42/h3-36,57H,1-2H3.
What are the key properties of 2-(4-methylphenyl)-4-phenyl-6-[4-phenyl-2-[4-[4-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]phenoxy]phenyl]quinolin-6-yl]quinoline?
2-(4-methylphenyl)-4-phenyl-6-[4-phenyl-2-[4-[4-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]phenoxy]phenyl]quinolin-6-yl]quinoline has a molecular weight of 854.97 g/mol, XLogP of 15.92, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4-phenyl-6-[4-phenyl-2-[4-[4-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]phenoxy]phenyl]quinolin-6-yl]quinoline is sourced from PubChem (CID 142951872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).