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

C47H32F6N2O — CID 59685794

IUPAC6-[1,1,1,3,3,3-hexafluoro-2-[2-(4-methoxyphenyl)-4-phenylquinolin-6-yl]propan-2-yl]-2-(4-methylphenyl)-4-phenylquinoline
SMILESCOc1ccc(-c2cc(-c3ccccc3)c3cc(C(c4ccc5nc(-c6ccc(C)cc6)cc(-c6ccccc6)c5c4)(C(F)(F)F)C(F)(F)F)ccc3n2)cc1
InChIInChI=1S/C47H32F6N2O/c1-29-13-15-32(16-14-29)43-27-37(30-9-5-3-6-10-30)39-25-34(19-23-41(39)54-43)45(46(48,49)50,47(51,52)53)35-20-24-42-40(26-35)38(31-11-7-4-8-12-31)28-44(55-42)33-17-21-36(56-2)22-18-33/h3-28H,1-2H3
InChIKeyHUGLNYWUYRJVAB-UHFFFAOYSA-N
MW754.77 g/mol
LogP13.18
Rot. Bonds7

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

6-[1,1,1,3,3,3-hexafluoro-2-[2-(4-methoxyphenyl)-4-phenylquinolin-6-yl]propan-2-yl]-2-(4-methylphenyl)-4-phenylquinoline (PubChem CID 59685794) has the molecular formula C47H32F6N2O and a molecular weight of 754.77 g/mol. Its IUPAC name is 6-[1,1,1,3,3,3-hexafluoro-2-[2-(4-methoxyphenyl)-4-phenylquinolin-6-yl]propan-2-yl]-2-(4-methylphenyl)-4-phenylquinoline.

Molecular Properties

Compound Name6-[1,1,1,3,3,3-hexafluoro-2-[2-(4-methoxyphenyl)-4-phenylquinolin-6-yl]propan-2-yl]-2-(4-methylphenyl)-4-phenylquinoline
PubChem CID59685794
Molecular FormulaC47H32F6N2O
Molecular Weight754.77 g/mol
Exact Mass754.24
IUPAC Name6-[1,1,1,3,3,3-hexafluoro-2-[2-(4-methoxyphenyl)-4-phenylquinolin-6-yl]propan-2-yl]-2-(4-methylphenyl)-4-phenylquinoline
SMILESCOc1ccc(-c2cc(-c3ccccc3)c3cc(C(c4ccc5nc(-c6ccc(C)cc6)cc(-c6ccccc6)c5c4)(C(F)(F)F)C(F)(F)F)ccc3n2)cc1
InChIInChI=1S/C47H32F6N2O/c1-29-13-15-32(16-14-29)43-27-37(30-9-5-3-6-10-30)39-25-34(19-23-41(39)54-43)45(46(48,49)50,47(51,52)53)35-20-24-42-40(26-35)38(31-11-7-4-8-12-31)28-44(55-42)33-17-21-36(56-2)22-18-33/h3-28H,1-2H3
InChIKeyHUGLNYWUYRJVAB-UHFFFAOYSA-N
XLogP13.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.77
LogP ≤ 513.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[1,1,1,3,3,3-hexafluoro-2-[2-(4-methoxyphenyl)-4-phenylquinolin-6-yl]propan-2-yl]-2-(4-methylphenyl)-4-phenylquinoline?
The IUPAC name of 6-[1,1,1,3,3,3-hexafluoro-2-[2-(4-methoxyphenyl)-4-phenylquinolin-6-yl]propan-2-yl]-2-(4-methylphenyl)-4-phenylquinoline (CID 59685794) is 6-[1,1,1,3,3,3-hexafluoro-2-[2-(4-methoxyphenyl)-4-phenylquinolin-6-yl]propan-2-yl]-2-(4-methylphenyl)-4-phenylquinoline.
What is the SMILES notation for 6-[1,1,1,3,3,3-hexafluoro-2-[2-(4-methoxyphenyl)-4-phenylquinolin-6-yl]propan-2-yl]-2-(4-methylphenyl)-4-phenylquinoline?
The canonical SMILES for 6-[1,1,1,3,3,3-hexafluoro-2-[2-(4-methoxyphenyl)-4-phenylquinolin-6-yl]propan-2-yl]-2-(4-methylphenyl)-4-phenylquinoline is COc1ccc(-c2cc(-c3ccccc3)c3cc(C(c4ccc5nc(-c6ccc(C)cc6)cc(-c6ccccc6)c5c4)(C(F)(F)F)C(F)(F)F)ccc3n2)cc1.
What is the InChIKey of 6-[1,1,1,3,3,3-hexafluoro-2-[2-(4-methoxyphenyl)-4-phenylquinolin-6-yl]propan-2-yl]-2-(4-methylphenyl)-4-phenylquinoline?
The InChIKey is HUGLNYWUYRJVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32F6N2O/c1-29-13-15-32(16-14-29)43-27-37(30-9-5-3-6-10-30)39-25-34(19-23-41(39)54-43)45(46(48,49)50,47(51,52)53)35-20-24-42-40(26-35)38(31-11-7-4-8-12-31)28-44(55-42)33-17-21-36(56-2)22-18-33/h3-28H,1-2H3.
What are the key properties of 6-[1,1,1,3,3,3-hexafluoro-2-[2-(4-methoxyphenyl)-4-phenylquinolin-6-yl]propan-2-yl]-2-(4-methylphenyl)-4-phenylquinoline?
6-[1,1,1,3,3,3-hexafluoro-2-[2-(4-methoxyphenyl)-4-phenylquinolin-6-yl]propan-2-yl]-2-(4-methylphenyl)-4-phenylquinoline has a molecular weight of 754.77 g/mol, XLogP of 13.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1,1,1,3,3,3-hexafluoro-2-[2-(4-methoxyphenyl)-4-phenylquinolin-6-yl]propan-2-yl]-2-(4-methylphenyl)-4-phenylquinoline is sourced from PubChem (CID 59685794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).