2-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-5-[2-[4-[4-[5-[2-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione

C74H34F18N6O10 — CID 163893749

IUPAC2-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-5-[2-[4-[4-[5-[2-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
SMILESNc1ccc(-c2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(c5ccc(-c7ccc(N8C(=O)c9ccc(Oc%10ccc%11c(c%10)C(=O)N(c%10ccc(-c%12ccc(N)cc%12C(F)(F)F)c(C(F)(F)F)c%10)C%11=O)cc9C8=O)cc7C(F)(F)F)c(C(F)(F)F)c5)C6=O)cc4C3=O)cc2C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C74H34F18N6O10/c75-69(76,77)55-21-31(93)1-11-41(55)43-13-3-33(23-57(43)71(81,82)83)95-61(99)47-17-7-37(27-51(47)65(95)103)107-39-9-19-49-53(29-39)67(105)97(63(49)101)35-5-15-45(59(25-35)73(87,88)89)46-16-6-36(26-60(46)74(90,91)92)98-64(102)50-20-10-40(30-54(50)68(98)106)108-38-8-18-48-52(28-38)66(104)96(62(48)100)34-4-14-44(58(24-34)72(84,85)86)42-12-2-32(94)22-56(42)70(78,79)80/h1-30H,93-94H2
InChIKeyQDUIRUONRWZWJL-UHFFFAOYSA-N
MW1509.08 g/mol
LogP18.75
Rot. Bonds11

About 2-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-5-[2-[4-[4-[5-[2-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione

2-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-5-[2-[4-[4-[5-[2-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione (PubChem CID 163893749) has the molecular formula C74H34F18N6O10 and a molecular weight of 1509.08 g/mol. Its IUPAC name is 2-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-5-[2-[4-[4-[5-[2-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-5-[2-[4-[4-[5-[2-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
PubChem CID163893749
Molecular FormulaC74H34F18N6O10
Molecular Weight1509.08 g/mol
Exact Mass1508.20
IUPAC Name2-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-5-[2-[4-[4-[5-[2-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
SMILESNc1ccc(-c2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(c5ccc(-c7ccc(N8C(=O)c9ccc(Oc%10ccc%11c(c%10)C(=O)N(c%10ccc(-c%12ccc(N)cc%12C(F)(F)F)c(C(F)(F)F)c%10)C%11=O)cc9C8=O)cc7C(F)(F)F)c(C(F)(F)F)c5)C6=O)cc4C3=O)cc2C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C74H34F18N6O10/c75-69(76,77)55-21-31(93)1-11-41(55)43-13-3-33(23-57(43)71(81,82)83)95-61(99)47-17-7-37(27-51(47)65(95)103)107-39-9-19-49-53(29-39)67(105)97(63(49)101)35-5-15-45(59(25-35)73(87,88)89)46-16-6-36(26-60(46)74(90,91)92)98-64(102)50-20-10-40(30-54(50)68(98)106)108-38-8-18-48-52(28-38)66(104)96(62(48)100)34-4-14-44(58(24-34)72(84,85)86)42-12-2-32(94)22-56(42)70(78,79)80/h1-30H,93-94H2
InChIKeyQDUIRUONRWZWJL-UHFFFAOYSA-N
XLogP18.75
TPSA220.02 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001509.08
LogP ≤ 518.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-5-[2-[4-[4-[5-[2-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione with MolForge

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Related Compounds

2-methyl-5-[4-[2-[4-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione
CID 147801534
5-(3-aminophenoxy)-2-naphthalen-2-ylisoindole-1,3-dione
CID 23739421
5-(3-aminophenoxy)-2-(3-chlorophenyl)isoindole-1,3-dione
CID 2230936
5-(4-aminophenyl)-2-[4-[4-[5-(4-aminophenyl)-1,3-dioxoisoindol-2-yl]-3-(trifluoromethyl)phenyl]phenyl]isoindole-1,3-dione
CID 171043423
2-[4-amino-2-(trifluoromethyl)phenyl]-5-[2-[2-[4-amino-2-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione
CID 139771826
2-[4-[3,5-bis[4-(5-carboxy-1,3-dioxoisoindol-2-yl)-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindole-5-carboxylic acid
CID 175974088
5-amino-2-(4-fluorophenyl)isoindole-1,3-dione
CID 28773111
(4-aminophenyl) 2-[4-[2-[4-[5-(4-aminophenoxy)carbonyl-1,3-dioxoisoindol-2-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindole-5-carboxylate
CID 159247499
2-methyl-5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 59133266
2-[4-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 59128028
5-amino-2-(3,5-dimethoxyphenyl)isoindole-1,3-dione
CID 86258282
2-(4-nitrophenyl)-5-[2-(4-nitrophenyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 3109986

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-5-[2-[4-[4-[5-[2-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
The IUPAC name of 2-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-5-[2-[4-[4-[5-[2-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione (CID 163893749) is 2-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-5-[2-[4-[4-[5-[2-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione.
What is the SMILES notation for 2-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-5-[2-[4-[4-[5-[2-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
The canonical SMILES for 2-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-5-[2-[4-[4-[5-[2-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione is Nc1ccc(-c2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(c5ccc(-c7ccc(N8C(=O)c9ccc(Oc%10ccc%11c(c%10)C(=O)N(c%10ccc(-c%12ccc(N)cc%12C(F)(F)F)c(C(F)(F)F)c%10)C%11=O)cc9C8=O)cc7C(F)(F)F)c(C(F)(F)F)c5)C6=O)cc4C3=O)cc2C(F)(F)F)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-5-[2-[4-[4-[5-[2-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
The InChIKey is QDUIRUONRWZWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H34F18N6O10/c75-69(76,77)55-21-31(93)1-11-41(55)43-13-3-33(23-57(43)71(81,82)83)95-61(99)47-17-7-37(27-51(47)65(95)103)107-39-9-19-49-53(29-39)67(105)97(63(49)101)35-5-15-45(59(25-35)73(87,88)89)46-16-6-36(26-60(46)74(90,91)92)98-64(102)50-20-10-40(30-54(50)68(98)106)108-38-8-18-48-52(28-38)66(104)96(62(48)100)34-4-14-44(58(24-34)72(84,85)86)42-12-2-32(94)22-56(42)70(78,79)80/h1-30H,93-94H2.
What are the key properties of 2-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-5-[2-[4-[4-[5-[2-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
2-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-5-[2-[4-[4-[5-[2-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione has a molecular weight of 1509.08 g/mol, XLogP of 18.75, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-5-[2-[4-[4-[5-[2-[4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione is sourced from PubChem (CID 163893749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).