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

C63H38F6N4O4 — CID 102443165

IUPAC5-[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
SMILESO=C1c2ccc(C(c3ccc4c(c3)C(=O)N(c3ccc(N(c5ccccc5)c5cccc6ccccc56)cc3)C4=O)(C(F)(F)F)C(F)(F)F)cc2C(=O)N1c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C63H38F6N4O4/c64-62(65,66)61(63(67,68)69,41-25-35-51-53(37-41)59(76)72(57(51)74)47-31-27-45(28-32-47)70(43-17-3-1-4-18-43)55-23-11-15-39-13-7-9-21-49(39)55)42-26-36-52-54(38-42)60(77)73(58(52)75)48-33-29-46(30-34-48)71(44-19-5-2-6-20-44)56-24-12-16-40-14-8-10-22-50(40)56/h1-38H
InChIKeyKGPMCFLZQQLSQF-UHFFFAOYSA-N
MW1029.01 g/mol
LogP15.94
Rot. Bonds10

About 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

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 (PubChem CID 102443165) has the molecular formula C63H38F6N4O4 and a molecular weight of 1029.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID102443165
Molecular FormulaC63H38F6N4O4
Molecular Weight1029.01 g/mol
Exact Mass1028.28
IUPAC Name5-[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
SMILESO=C1c2ccc(C(c3ccc4c(c3)C(=O)N(c3ccc(N(c5ccccc5)c5cccc6ccccc56)cc3)C4=O)(C(F)(F)F)C(F)(F)F)cc2C(=O)N1c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C63H38F6N4O4/c64-62(65,66)61(63(67,68)69,41-25-35-51-53(37-41)59(76)72(57(51)74)47-31-27-45(28-32-47)70(43-17-3-1-4-18-43)55-23-11-15-39-13-7-9-21-49(39)55)42-26-36-52-54(38-42)60(77)73(58(52)75)48-33-29-46(30-34-48)71(44-19-5-2-6-20-44)56-24-12-16-40-14-8-10-22-50(40)56/h1-38H
InChIKeyKGPMCFLZQQLSQF-UHFFFAOYSA-N
XLogP15.94
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001029.01
LogP ≤ 515.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-[4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-2-(trifluoromethyl)phenyl]-8-(naphthalene-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 46235609
2-[1-[2-(1,3-Dioxoisoindol-2-yl)-9,10-dioxo-anthracen-1-yl]-9,10-dioxo-anthracen-2-yl]isoindole-1,3-dione
CID 271598
2-Naphthalen-1-yl-5-(2-naphthalen-1-yl-1,3-dioxoisoindole-5-carbonyl)isoindole-1,3-dione
CID 2831544
5,5'-carbonylbis[2-(2-biphenylyl)-1H-isoindole-1,3(2H)-dione]
CID 2832552
2-(3-Ethynylphenyl)-5-[4-[[4-[2-(3-ethynylphenyl)-1,3-dioxo-4,6,7-triphenyl-isoindolin-5-yl]phenyl]methyl]phenyl]-4,6,7-triphenyl-isoindoline-1,3-dione
CID 16129766
5,5'-(Hexafluoroisopropylidene)bis(2-phenylisoindoline-1,3-dione)
CID 2179822
2,2'-[(1,1,1,3,3,3-hexafluoro-2,2-propanediyl)di-4,1-phenylene]bis(1H-isoindole-1,3(2H)-dione)
CID 2179823
4,5-Bis(4-fluorophenyl)-1-phenylbenzo[cd]indol-2(1H)-one
CID 77461528
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-Naphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 139094581
1-(4-Fluoro-5,6,7,8-tetraphenylnaphthalen-1-yl)-3,3-dimethylindol-2-one
CID 146162588
1'-[5,6,7,8-Tetrakis(4-fluorophenyl)naphthalen-1-yl]spiro[cyclopropane-1,3'-indole]-2'-one
CID 146162694

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1c2ccc(C(c3ccc4c(c3)C(=O)N(c3ccc(N(c5ccccc5)c5cccc6ccccc56)cc3)C4=O)(C(F)(F)F)C(F)(F)F)cc2C(=O)N1c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1.
What is the InChIKey of 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?
The InChIKey is KGPMCFLZQQLSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38F6N4O4/c64-62(65,66)61(63(67,68)69,41-25-35-51-53(37-41)59(76)72(57(51)74)47-31-27-45(28-32-47)70(43-17-3-1-4-18-43)55-23-11-15-39-13-7-9-21-49(39)55)42-26-36-52-54(38-42)60(77)73(58(52)75)48-33-29-46(30-34-48)71(44-19-5-2-6-20-44)56-24-12-16-40-14-8-10-22-50(40)56/h1-38H.
What are the key properties of 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?
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 has a molecular weight of 1029.01 g/mol, XLogP of 15.94, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 102443165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).