4-[3-[2,4-bis(trifluoromethyl)phenyl]-6-[2-[6-[2,4-bis(trifluoromethyl)phenyl]-9-(2-methyl-1,3-dioxoisoindol-4-yl)carbazol-3-yl]-3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione

C66H32F18N4O4 — CID 134239908

IUPAC4-[3-[2,4-bis(trifluoromethyl)phenyl]-6-[2-[6-[2,4-bis(trifluoromethyl)phenyl]-9-(2-methyl-1,3-dioxoisoindol-4-yl)carbazol-3-yl]-3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2cccc(-n3c4ccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc4c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5-c5ccc6c(c5)c5cc(-c7ccc(C(F)(F)F)cc7C(F)(F)F)ccc5n6-c5cccc6c5C(=O)N(C)C6=O)ccc43)c2C1=O
InChIInChI=1S/C66H32F18N4O4/c1-85-57(89)38-5-3-7-52(55(38)59(85)91)87-48-17-9-29(36-15-13-33(61(67,68)69)26-45(36)64(76,77)78)21-41(48)43-23-31(11-19-50(43)87)40-25-35(63(73,74)75)28-47(66(82,83)84)54(40)32-12-20-51-44(24-32)42-22-30(37-16-14-34(62(70,71)72)27-46(37)65(79,80)81)10-18-49(42)88(51)53-8-4-6-39-56(53)60(92)86(2)58(39)90/h3-28H,1-2H3
InChIKeyXUDJXTFDAZISGV-UHFFFAOYSA-N
MW1286.97 g/mol
LogP19.11
Rot. Bonds6

About 4-[3-[2,4-bis(trifluoromethyl)phenyl]-6-[2-[6-[2,4-bis(trifluoromethyl)phenyl]-9-(2-methyl-1,3-dioxoisoindol-4-yl)carbazol-3-yl]-3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione

4-[3-[2,4-bis(trifluoromethyl)phenyl]-6-[2-[6-[2,4-bis(trifluoromethyl)phenyl]-9-(2-methyl-1,3-dioxoisoindol-4-yl)carbazol-3-yl]-3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione (PubChem CID 134239908) has the molecular formula C66H32F18N4O4 and a molecular weight of 1286.97 g/mol. Its IUPAC name is 4-[3-[2,4-bis(trifluoromethyl)phenyl]-6-[2-[6-[2,4-bis(trifluoromethyl)phenyl]-9-(2-methyl-1,3-dioxoisoindol-4-yl)carbazol-3-yl]-3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name4-[3-[2,4-bis(trifluoromethyl)phenyl]-6-[2-[6-[2,4-bis(trifluoromethyl)phenyl]-9-(2-methyl-1,3-dioxoisoindol-4-yl)carbazol-3-yl]-3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione
PubChem CID134239908
Molecular FormulaC66H32F18N4O4
Molecular Weight1286.97 g/mol
Exact Mass1286.21
IUPAC Name4-[3-[2,4-bis(trifluoromethyl)phenyl]-6-[2-[6-[2,4-bis(trifluoromethyl)phenyl]-9-(2-methyl-1,3-dioxoisoindol-4-yl)carbazol-3-yl]-3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2cccc(-n3c4ccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc4c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5-c5ccc6c(c5)c5cc(-c7ccc(C(F)(F)F)cc7C(F)(F)F)ccc5n6-c5cccc6c5C(=O)N(C)C6=O)ccc43)c2C1=O
InChIInChI=1S/C66H32F18N4O4/c1-85-57(89)38-5-3-7-52(55(38)59(85)91)87-48-17-9-29(36-15-13-33(61(67,68)69)26-45(36)64(76,77)78)21-41(48)43-23-31(11-19-50(43)87)40-25-35(63(73,74)75)28-47(66(82,83)84)54(40)32-12-20-51-44(24-32)42-22-30(37-16-14-34(62(70,71)72)27-46(37)65(79,80)81)10-18-49(42)88(51)53-8-4-6-39-56(53)60(92)86(2)58(39)90/h3-28H,1-2H3
InChIKeyXUDJXTFDAZISGV-UHFFFAOYSA-N
XLogP19.11
TPSA84.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001286.97
LogP ≤ 519.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[3-[2,4-bis(trifluoromethyl)phenyl]-6-[2-[6-[2,4-bis(trifluoromethyl)phenyl]-9-(2-methyl-1,3-dioxoisoindol-4-yl)carbazol-3-yl]-3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2,4-bis(trifluoromethyl)phenyl]-6-[2-[6-[2,4-bis(trifluoromethyl)phenyl]-9-(2-methyl-1,3-dioxoisoindol-4-yl)carbazol-3-yl]-3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione?
The IUPAC name of 4-[3-[2,4-bis(trifluoromethyl)phenyl]-6-[2-[6-[2,4-bis(trifluoromethyl)phenyl]-9-(2-methyl-1,3-dioxoisoindol-4-yl)carbazol-3-yl]-3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione (CID 134239908) is 4-[3-[2,4-bis(trifluoromethyl)phenyl]-6-[2-[6-[2,4-bis(trifluoromethyl)phenyl]-9-(2-methyl-1,3-dioxoisoindol-4-yl)carbazol-3-yl]-3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione.
What is the SMILES notation for 4-[3-[2,4-bis(trifluoromethyl)phenyl]-6-[2-[6-[2,4-bis(trifluoromethyl)phenyl]-9-(2-methyl-1,3-dioxoisoindol-4-yl)carbazol-3-yl]-3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione?
The canonical SMILES for 4-[3-[2,4-bis(trifluoromethyl)phenyl]-6-[2-[6-[2,4-bis(trifluoromethyl)phenyl]-9-(2-methyl-1,3-dioxoisoindol-4-yl)carbazol-3-yl]-3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione is CN1C(=O)c2cccc(-n3c4ccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc4c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5-c5ccc6c(c5)c5cc(-c7ccc(C(F)(F)F)cc7C(F)(F)F)ccc5n6-c5cccc6c5C(=O)N(C)C6=O)ccc43)c2C1=O.
What is the InChIKey of 4-[3-[2,4-bis(trifluoromethyl)phenyl]-6-[2-[6-[2,4-bis(trifluoromethyl)phenyl]-9-(2-methyl-1,3-dioxoisoindol-4-yl)carbazol-3-yl]-3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione?
The InChIKey is XUDJXTFDAZISGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H32F18N4O4/c1-85-57(89)38-5-3-7-52(55(38)59(85)91)87-48-17-9-29(36-15-13-33(61(67,68)69)26-45(36)64(76,77)78)21-41(48)43-23-31(11-19-50(43)87)40-25-35(63(73,74)75)28-47(66(82,83)84)54(40)32-12-20-51-44(24-32)42-22-30(37-16-14-34(62(70,71)72)27-46(37)65(79,80)81)10-18-49(42)88(51)53-8-4-6-39-56(53)60(92)86(2)58(39)90/h3-28H,1-2H3.
What are the key properties of 4-[3-[2,4-bis(trifluoromethyl)phenyl]-6-[2-[6-[2,4-bis(trifluoromethyl)phenyl]-9-(2-methyl-1,3-dioxoisoindol-4-yl)carbazol-3-yl]-3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione?
4-[3-[2,4-bis(trifluoromethyl)phenyl]-6-[2-[6-[2,4-bis(trifluoromethyl)phenyl]-9-(2-methyl-1,3-dioxoisoindol-4-yl)carbazol-3-yl]-3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione has a molecular weight of 1286.97 g/mol, XLogP of 19.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2,4-bis(trifluoromethyl)phenyl]-6-[2-[6-[2,4-bis(trifluoromethyl)phenyl]-9-(2-methyl-1,3-dioxoisoindol-4-yl)carbazol-3-yl]-3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 134239908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).