2-[4-[4-(2,5-dioxopyrrol-1-yl)-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenyl]-5-[2-[2-[4-[4-(2,5-dioxopyrrol-1-yl)-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione

C51H10F22N4O10 — CID 20695329

IUPAC2-[4-[4-(2,5-dioxopyrrol-1-yl)-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenyl]-5-[2-[2-[4-[4-(2,5-dioxopyrrol-1-yl)-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione
SMILESO=C1C=CC(=O)N1c1c(F)c(F)c(Oc2c(F)c(F)c(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N(c5c(F)c(F)c(Oc7c(F)c(F)c(N8C(=O)C=CC8=O)c(F)c7F)c(F)c5F)C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)c(F)c2F)c(F)c1F
InChIInChI=1S/C51H10F22N4O10/c52-21-29(60)41(30(61)22(53)37(21)74-17(78)5-6-18(74)79)86-43-33(64)25(56)39(26(57)34(43)65)76-45(82)13-3-1-11(9-15(13)47(76)84)49(50(68,69)70,51(71,72)73)12-2-4-14-16(10-12)48(85)77(46(14)83)40-27(58)35(66)44(36(67)28(40)59)87-42-31(62)23(54)38(24(55)32(42)63)75-19(80)7-8-20(75)81/h1-10H
InChIKeyPPWVHMHEBWRPKR-UHFFFAOYSA-N
MW1256.61 g/mol
LogP11.37
Rot. Bonds10

About 2-[4-[4-(2,5-dioxopyrrol-1-yl)-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenyl]-5-[2-[2-[4-[4-(2,5-dioxopyrrol-1-yl)-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione

2-[4-[4-(2,5-dioxopyrrol-1-yl)-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenyl]-5-[2-[2-[4-[4-(2,5-dioxopyrrol-1-yl)-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione (PubChem CID 20695329) has the molecular formula C51H10F22N4O10 and a molecular weight of 1256.61 g/mol. Its IUPAC name is 2-[4-[4-(2,5-dioxopyrrol-1-yl)-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenyl]-5-[2-[2-[4-[4-(2,5-dioxopyrrol-1-yl)-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-[4-(2,5-dioxopyrrol-1-yl)-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenyl]-5-[2-[2-[4-[4-(2,5-dioxopyrrol-1-yl)-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione
PubChem CID20695329
Molecular FormulaC51H10F22N4O10
Molecular Weight1256.61 g/mol
Exact Mass1256.00
IUPAC Name2-[4-[4-(2,5-dioxopyrrol-1-yl)-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenyl]-5-[2-[2-[4-[4-(2,5-dioxopyrrol-1-yl)-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione
SMILESO=C1C=CC(=O)N1c1c(F)c(F)c(Oc2c(F)c(F)c(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N(c5c(F)c(F)c(Oc7c(F)c(F)c(N8C(=O)C=CC8=O)c(F)c7F)c(F)c5F)C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)c(F)c2F)c(F)c1F
InChIInChI=1S/C51H10F22N4O10/c52-21-29(60)41(30(61)22(53)37(21)74-17(78)5-6-18(74)79)86-43-33(64)25(56)39(26(57)34(43)65)76-45(82)13-3-1-11(9-15(13)47(76)84)49(50(68,69)70,51(71,72)73)12-2-4-14-16(10-12)48(85)77(46(14)83)40-27(58)35(66)44(36(67)28(40)59)87-42-31(62)23(54)38(24(55)32(42)63)75-19(80)7-8-20(75)81/h1-10H
InChIKeyPPWVHMHEBWRPKR-UHFFFAOYSA-N
XLogP11.37
TPSA167.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001256.61
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[4-[4-(2,5-dioxopyrrol-1-yl)-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenyl]-5-[2-[2-[4-[4-(2,5-dioxopyrrol-1-yl)-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione with MolForge

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Related Compounds

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5,5'-(1,1,1,3,3,3-hexafluoro-2,2-propanediyl)bis[2-(4-phenoxyphenyl)-1H-isoindole-1,3(2H)-dione]
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N,N'-Bis[4-(4-aminophenoxy)phenyl]pyromellitic diimide
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4,4'-Bis(4-fluorophthalimido) diphenyl ether
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2-[3-[(1R,2R)-2-[5-(1,3-dioxoisoindol-2-yl)-2-phenoxyphenyl]-1,2,3,3,4,4-hexafluorocyclobutyl]-4-phenoxyphenyl]isoindole-1,3-dione;ethoxyethane
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2,6-Bis(4-ethoxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
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2-(4-{4-[1-{4-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenoxy]phenyl}-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phenoxy}phenyl)-1H-isoindole-1,3(2H)-dione
CID 9540274
5-[1,1,1,3,3,3-Hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione
CID 18714643
4-Fluoro-2-[4-[3-[4-(4-fluoro-1,3-dioxoisoindol-2-yl)phenoxy]phenoxy]phenyl]isoindole-1,3-dione
CID 18957316
2-[4-(4-Aminophenoxy)phenyl]-5-[2-[2-[4-(4-aminophenoxy)phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione
CID 19914845
5-[1,1,1,3,3,3-Hexafluoro-2-[2-[3-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione
CID 20667350

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2,5-dioxopyrrol-1-yl)-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenyl]-5-[2-[2-[4-[4-(2,5-dioxopyrrol-1-yl)-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[4-[4-(2,5-dioxopyrrol-1-yl)-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenyl]-5-[2-[2-[4-[4-(2,5-dioxopyrrol-1-yl)-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione (CID 20695329) is 2-[4-[4-(2,5-dioxopyrrol-1-yl)-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenyl]-5-[2-[2-[4-[4-(2,5-dioxopyrrol-1-yl)-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-[4-(2,5-dioxopyrrol-1-yl)-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenyl]-5-[2-[2-[4-[4-(2,5-dioxopyrrol-1-yl)-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-[4-(2,5-dioxopyrrol-1-yl)-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenyl]-5-[2-[2-[4-[4-(2,5-dioxopyrrol-1-yl)-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione is O=C1C=CC(=O)N1c1c(F)c(F)c(Oc2c(F)c(F)c(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N(c5c(F)c(F)c(Oc7c(F)c(F)c(N8C(=O)C=CC8=O)c(F)c7F)c(F)c5F)C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)c(F)c2F)c(F)c1F.
What is the InChIKey of 2-[4-[4-(2,5-dioxopyrrol-1-yl)-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenyl]-5-[2-[2-[4-[4-(2,5-dioxopyrrol-1-yl)-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione?
The InChIKey is PPWVHMHEBWRPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H10F22N4O10/c52-21-29(60)41(30(61)22(53)37(21)74-17(78)5-6-18(74)79)86-43-33(64)25(56)39(26(57)34(43)65)76-45(82)13-3-1-11(9-15(13)47(76)84)49(50(68,69)70,51(71,72)73)12-2-4-14-16(10-12)48(85)77(46(14)83)40-27(58)35(66)44(36(67)28(40)59)87-42-31(62)23(54)38(24(55)32(42)63)75-19(80)7-8-20(75)81/h1-10H.
What are the key properties of 2-[4-[4-(2,5-dioxopyrrol-1-yl)-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenyl]-5-[2-[2-[4-[4-(2,5-dioxopyrrol-1-yl)-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione?
2-[4-[4-(2,5-dioxopyrrol-1-yl)-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenyl]-5-[2-[2-[4-[4-(2,5-dioxopyrrol-1-yl)-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione has a molecular weight of 1256.61 g/mol, XLogP of 11.37, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2,5-dioxopyrrol-1-yl)-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenyl]-5-[2-[2-[4-[4-(2,5-dioxopyrrol-1-yl)-2,3,5,6-tetrafluorophenoxy]-2,3,5,6-tetrafluorophenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 20695329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).