2-(4-methoxyphenyl)-6-[3-(4-methylphenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxaline;1-methoxypropane;1,1,2,2-tetrafluoro-1-methoxypropane

C50H46F4N4O3 — CID 91068129

IUPAC2-(4-methoxyphenyl)-6-[3-(4-methylphenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxaline;1-methoxypropane;1,1,2,2-tetrafluoro-1-methoxypropane
SMILESCCCOC.COC(F)(F)C(C)(F)F.COc1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccccc6)c(-c6ccc(C)cc6)nc5c4)cc3nc2-c2ccccc2)cc1
InChIInChI=1S/C42H30N4O.C4H6F4O.C4H10O/c1-27-13-15-30(16-14-27)42-39(28-9-5-3-6-10-28)43-35-23-19-33(26-38(35)46-42)32-20-24-36-37(25-32)45-40(29-11-7-4-8-12-29)41(44-36)31-17-21-34(47-2)22-18-31;1-3(5,6)4(7,8)9-2;1-3-4-5-2/h3-26H,1-2H3;1-2H3;3-4H2,1-2H3
InChIKeyKVJUHSOGMCCFKH-UHFFFAOYSA-N
MW826.93 g/mol
LogP13.15
Rot. Bonds10

About 2-(4-methoxyphenyl)-6-[3-(4-methylphenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxaline;1-methoxypropane;1,1,2,2-tetrafluoro-1-methoxypropane

2-(4-methoxyphenyl)-6-[3-(4-methylphenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxaline;1-methoxypropane;1,1,2,2-tetrafluoro-1-methoxypropane (PubChem CID 91068129) has the molecular formula C50H46F4N4O3 and a molecular weight of 826.93 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-[3-(4-methylphenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxaline;1-methoxypropane;1,1,2,2-tetrafluoro-1-methoxypropane.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-[3-(4-methylphenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxaline;1-methoxypropane;1,1,2,2-tetrafluoro-1-methoxypropane
PubChem CID91068129
Molecular FormulaC50H46F4N4O3
Molecular Weight826.93 g/mol
Exact Mass826.35
IUPAC Name2-(4-methoxyphenyl)-6-[3-(4-methylphenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxaline;1-methoxypropane;1,1,2,2-tetrafluoro-1-methoxypropane
SMILESCCCOC.COC(F)(F)C(C)(F)F.COc1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccccc6)c(-c6ccc(C)cc6)nc5c4)cc3nc2-c2ccccc2)cc1
InChIInChI=1S/C42H30N4O.C4H6F4O.C4H10O/c1-27-13-15-30(16-14-27)42-39(28-9-5-3-6-10-28)43-35-23-19-33(26-38(35)46-42)32-20-24-36-37(25-32)45-40(29-11-7-4-8-12-29)41(44-36)31-17-21-34(47-2)22-18-31;1-3(5,6)4(7,8)9-2;1-3-4-5-2/h3-26H,1-2H3;1-2H3;3-4H2,1-2H3
InChIKeyKVJUHSOGMCCFKH-UHFFFAOYSA-N
XLogP13.15
TPSA79.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.93
LogP ≤ 513.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-Di(4-methoxyphenyl)quinoxaline
CID 81660
2-(4-Methoxy-phenyl)-3-phenyl-quinoxaline
CID 687304
Quinoxaline, 2,3-bis(4-methoxyphenyl)-6-methyl-
CID 215802
CU(Dap)2 chloride
CID 60144211
6-Fluoro-2,3-bis(4-methoxyphenyl)quinoxaline
CID 24097038
N-(4-methoxyphenyl)-1-[9-[(4-methoxyphenyl)iminomethyl]-1,10-phenanthrolin-2-yl]methanimine
CID 168299797
2,9-Bis(4-methoxyphenyl)-1,10-phenanthroline
CID 13185379
2,9-Dimethoxy-1,10-phenanthroline
CID 355199
6,6'-Methylenebis[2,3-bis(4-methoxyphenyl)quinoxaline]
CID 2847000
Bis(2,9-bis(p-methoxyphenyl)-1,10-phenanthroline)copper(1+) chloride
CID 117065415
(T-4)-Copper(1+), bis[2,9-bis(4-methoxyphenyl)-1,10-phenanthroline-kappaN1,kappaN10]-, chloride
CID 138108253
2,9-Bis(p-methoxytetrafluorophenyl)-1,10-phenanthroline
CID 129769057

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-[3-(4-methylphenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxaline;1-methoxypropane;1,1,2,2-tetrafluoro-1-methoxypropane?
The IUPAC name of 2-(4-methoxyphenyl)-6-[3-(4-methylphenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxaline;1-methoxypropane;1,1,2,2-tetrafluoro-1-methoxypropane (CID 91068129) is 2-(4-methoxyphenyl)-6-[3-(4-methylphenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxaline;1-methoxypropane;1,1,2,2-tetrafluoro-1-methoxypropane.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-[3-(4-methylphenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxaline;1-methoxypropane;1,1,2,2-tetrafluoro-1-methoxypropane?
The canonical SMILES for 2-(4-methoxyphenyl)-6-[3-(4-methylphenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxaline;1-methoxypropane;1,1,2,2-tetrafluoro-1-methoxypropane is CCCOC.COC(F)(F)C(C)(F)F.COc1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccccc6)c(-c6ccc(C)cc6)nc5c4)cc3nc2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-[3-(4-methylphenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxaline;1-methoxypropane;1,1,2,2-tetrafluoro-1-methoxypropane?
The InChIKey is KVJUHSOGMCCFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N4O.C4H6F4O.C4H10O/c1-27-13-15-30(16-14-27)42-39(28-9-5-3-6-10-28)43-35-23-19-33(26-38(35)46-42)32-20-24-36-37(25-32)45-40(29-11-7-4-8-12-29)41(44-36)31-17-21-34(47-2)22-18-31;1-3(5,6)4(7,8)9-2;1-3-4-5-2/h3-26H,1-2H3;1-2H3;3-4H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-6-[3-(4-methylphenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxaline;1-methoxypropane;1,1,2,2-tetrafluoro-1-methoxypropane?
2-(4-methoxyphenyl)-6-[3-(4-methylphenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxaline;1-methoxypropane;1,1,2,2-tetrafluoro-1-methoxypropane has a molecular weight of 826.93 g/mol, XLogP of 13.15, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6-[3-(4-methylphenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxaline;1-methoxypropane;1,1,2,2-tetrafluoro-1-methoxypropane is sourced from PubChem (CID 91068129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).