2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-6-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]-4-phenylquinoline

C59H40F6N2O2 — CID 58773452

IUPAC2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-6-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]-4-phenylquinoline
SMILESCOc1ccc(C(c2ccc(Oc3ccc(-c4cc(-c5ccccc5)c5cc(-c6ccc7nc(-c8ccc(C)cc8)cc(-c8ccccc8)c7c6)ccc5n4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C59H40F6N2O2/c1-37-13-15-40(16-14-37)55-35-49(38-9-5-3-6-10-38)51-33-42(19-31-53(51)66-55)43-20-32-54-52(34-43)50(39-11-7-4-8-12-39)36-56(67-54)41-17-25-47(26-18-41)69-48-29-23-45(24-30-48)57(58(60,61)62,59(63,64)65)44-21-27-46(68-2)28-22-44/h3-36H,1-2H3
InChIKeyDRUVCQLOBJOZSW-UHFFFAOYSA-N
MW922.97 g/mol
LogP16.64
Rot. Bonds10

About 2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-6-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]-4-phenylquinoline

2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-6-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]-4-phenylquinoline (PubChem CID 58773452) has the molecular formula C59H40F6N2O2 and a molecular weight of 922.97 g/mol. Its IUPAC name is 2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-6-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]-4-phenylquinoline.

Molecular Properties

Compound Name2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-6-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]-4-phenylquinoline
PubChem CID58773452
Molecular FormulaC59H40F6N2O2
Molecular Weight922.97 g/mol
Exact Mass922.30
IUPAC Name2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-6-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]-4-phenylquinoline
SMILESCOc1ccc(C(c2ccc(Oc3ccc(-c4cc(-c5ccccc5)c5cc(-c6ccc7nc(-c8ccc(C)cc8)cc(-c8ccccc8)c7c6)ccc5n4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C59H40F6N2O2/c1-37-13-15-40(16-14-37)55-35-49(38-9-5-3-6-10-38)51-33-42(19-31-53(51)66-55)43-20-32-54-52(34-43)50(39-11-7-4-8-12-39)36-56(67-54)41-17-25-47(26-18-41)69-48-29-23-45(24-30-48)57(58(60,61)62,59(63,64)65)44-21-27-46(68-2)28-22-44/h3-36H,1-2H3
InChIKeyDRUVCQLOBJOZSW-UHFFFAOYSA-N
XLogP16.64
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.97
LogP ≤ 516.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-6-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]-4-phenylquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-6-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]-4-phenylquinoline?
The IUPAC name of 2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-6-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]-4-phenylquinoline (CID 58773452) is 2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-6-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]-4-phenylquinoline.
What is the SMILES notation for 2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-6-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]-4-phenylquinoline?
The canonical SMILES for 2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-6-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]-4-phenylquinoline is COc1ccc(C(c2ccc(Oc3ccc(-c4cc(-c5ccccc5)c5cc(-c6ccc7nc(-c8ccc(C)cc8)cc(-c8ccccc8)c7c6)ccc5n4)cc3)cc2)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-6-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]-4-phenylquinoline?
The InChIKey is DRUVCQLOBJOZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40F6N2O2/c1-37-13-15-40(16-14-37)55-35-49(38-9-5-3-6-10-38)51-33-42(19-31-53(51)66-55)43-20-32-54-52(34-43)50(39-11-7-4-8-12-39)36-56(67-54)41-17-25-47(26-18-41)69-48-29-23-45(24-30-48)57(58(60,61)62,59(63,64)65)44-21-27-46(68-2)28-22-44/h3-36H,1-2H3.
What are the key properties of 2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-6-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]-4-phenylquinoline?
2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-6-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]-4-phenylquinoline has a molecular weight of 922.97 g/mol, XLogP of 16.64, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]-6-[2-(4-methylphenyl)-4-phenylquinolin-6-yl]-4-phenylquinoline is sourced from PubChem (CID 58773452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).