6-[[4-[4-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C60H28F18N4O8 — CID 20653727

IUPAC6-[[4-[4-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1ccc(-c2ccc(-n3c(=O)c4cc5c(=O)n(Cc6ccc(-c7ccc(N8C(=O)c9ccc(C(c%10ccc%11c(c%10)C(=O)N(C)C%11=O)(C(F)(F)F)C(F)(F)F)cc9C8=O)cc7C(F)(F)F)c(C(F)(F)F)c6)c(=O)c5cc4c3=O)cc2C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C60H28F18N4O8/c1-24-3-9-30(42(15-24)55(61,62)63)32-13-8-29(20-44(32)57(67,68)69)82-52(89)40-21-38-39(22-41(40)53(82)90)49(86)80(48(38)85)23-25-4-10-31(43(16-25)56(64,65)66)33-14-7-28(19-45(33)58(70,71)72)81-50(87)35-12-6-27(18-37(35)51(81)88)54(59(73,74)75,60(76,77)78)26-5-11-34-36(17-26)47(84)79(2)46(34)83/h3-22H,23H2,1-2H3
InChIKeyNFLNFZVWNMXEEP-UHFFFAOYSA-N
MW1274.87 g/mol
LogP13.10
Rot. Bonds8

About 6-[[4-[4-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

6-[[4-[4-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 20653727) has the molecular formula C60H28F18N4O8 and a molecular weight of 1274.87 g/mol. Its IUPAC name is 6-[[4-[4-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name6-[[4-[4-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID20653727
Molecular FormulaC60H28F18N4O8
Molecular Weight1274.87 g/mol
Exact Mass1274.16
IUPAC Name6-[[4-[4-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1ccc(-c2ccc(-n3c(=O)c4cc5c(=O)n(Cc6ccc(-c7ccc(N8C(=O)c9ccc(C(c%10ccc%11c(c%10)C(=O)N(C)C%11=O)(C(F)(F)F)C(F)(F)F)cc9C8=O)cc7C(F)(F)F)c(C(F)(F)F)c6)c(=O)c5cc4c3=O)cc2C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C60H28F18N4O8/c1-24-3-9-30(42(15-24)55(61,62)63)32-13-8-29(20-44(32)57(67,68)69)82-52(89)40-21-38-39(22-41(40)53(82)90)49(86)80(48(38)85)23-25-4-10-31(43(16-25)56(64,65)66)33-14-7-28(19-45(33)58(70,71)72)81-50(87)35-12-6-27(18-37(35)51(81)88)54(59(73,74)75,60(76,77)78)26-5-11-34-36(17-26)47(84)79(2)46(34)83/h3-22H,23H2,1-2H3
InChIKeyNFLNFZVWNMXEEP-UHFFFAOYSA-N
XLogP13.10
TPSA152.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001274.87
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6-[[4-[4-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone with MolForge

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Related Compounds

5,5'-carbonylbis[2-(3,4-dimethylphenyl)-1H-isoindole-1,3(2H)-dione]
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4-[4-[5-[2-[2-[4-(3,5-Dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 59937281
5,5'-(Hexafluoroisopropylidene)bis(2-phenylisoindoline-1,3-dione)
CID 2179822
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5-[2-[1,3-dioxo-2-[4-(N-pyren-1-ylanilino)phenyl]isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-(N-pyren-1-ylanilino)phenyl]isoindole-1,3-dione
CID 102443163
5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-(N-naphthalen-1-ylanilino)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-[4-(N-naphthalen-1-ylanilino)phenyl]isoindole-1,3-dione
CID 102443165
5-Naphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 139094581
(3S)-3-[(E)-fluoro-(1-methyl-2-oxoindol-3-ylidene)methyl]-1-methyl-3-(trifluoromethyl)indol-2-one;(3R)-3-[(E)-fluoro-(1-methyl-2-oxoindol-3-ylidene)methyl]-1-methyl-3-(trifluoromethyl)indol-2-one
CID 139187103
2,6-bis(3,4-dimethylphenyl)-4-(phenylcarbonyl)pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone
CID 2263413
5,5'-(1,1,1,3,3,3-hexafluoro-2,2-propanediyl)bis[2-(4-benzoylphenyl)-1H-isoindole-1,3(2H)-dione]
CID 45926779
Phthalimide, 4,4'-(hexafluorotrimethylene)bis[N-phenyl-
CID 636075

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[4-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 6-[[4-[4-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 20653727) is 6-[[4-[4-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 6-[[4-[4-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 6-[[4-[4-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is Cc1ccc(-c2ccc(-n3c(=O)c4cc5c(=O)n(Cc6ccc(-c7ccc(N8C(=O)c9ccc(C(c%10ccc%11c(c%10)C(=O)N(C)C%11=O)(C(F)(F)F)C(F)(F)F)cc9C8=O)cc7C(F)(F)F)c(C(F)(F)F)c6)c(=O)c5cc4c3=O)cc2C(F)(F)F)c(C(F)(F)F)c1.
What is the InChIKey of 6-[[4-[4-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is NFLNFZVWNMXEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H28F18N4O8/c1-24-3-9-30(42(15-24)55(61,62)63)32-13-8-29(20-44(32)57(67,68)69)82-52(89)40-21-38-39(22-41(40)53(82)90)49(86)80(48(38)85)23-25-4-10-31(43(16-25)56(64,65)66)33-14-7-28(19-45(33)58(70,71)72)81-50(87)35-12-6-27(18-37(35)51(81)88)54(59(73,74)75,60(76,77)78)26-5-11-34-36(17-26)47(84)79(2)46(34)83/h3-22H,23H2,1-2H3.
What are the key properties of 6-[[4-[4-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
6-[[4-[4-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 1274.87 g/mol, XLogP of 13.10, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[4-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]methyl]-2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 20653727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).