2-[4-(dimethylamino)phenyl]-5-[2-[2-[4-[9-[4-(dimethylamino)phenyl]fluoren-9-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione

C55H40F6N4O4 — CID 18737334

IUPAC2-[4-(dimethylamino)phenyl]-5-[2-[2-[4-[9-[4-(dimethylamino)phenyl]fluoren-9-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione
SMILESCc1cc(C2(c3ccc(N(C)C)cc3)c3ccccc3-c3ccccc32)ccc1N1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(c3ccc(N(C)C)cc3)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O
InChIInChI=1S/C55H40F6N4O4/c1-31-28-33(52(32-14-19-36(20-15-32)62(2)3)45-12-8-6-10-39(45)40-11-7-9-13-46(40)52)18-27-47(31)65-49(67)42-26-17-35(30-44(42)51(65)69)53(54(56,57)58,55(59,60)61)34-16-25-41-43(29-34)50(68)64(48(41)66)38-23-21-37(22-24-38)63(4)5/h6-30H,1-5H3
InChIKeyNUEMDIYIMFOKJA-UHFFFAOYSA-N
MW934.94 g/mol
LogP11.50
Rot. Bonds8

About 2-[4-(dimethylamino)phenyl]-5-[2-[2-[4-[9-[4-(dimethylamino)phenyl]fluoren-9-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione

2-[4-(dimethylamino)phenyl]-5-[2-[2-[4-[9-[4-(dimethylamino)phenyl]fluoren-9-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione (PubChem CID 18737334) has the molecular formula C55H40F6N4O4 and a molecular weight of 934.94 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-5-[2-[2-[4-[9-[4-(dimethylamino)phenyl]fluoren-9-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-5-[2-[2-[4-[9-[4-(dimethylamino)phenyl]fluoren-9-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione
PubChem CID18737334
Molecular FormulaC55H40F6N4O4
Molecular Weight934.94 g/mol
Exact Mass934.30
IUPAC Name2-[4-(dimethylamino)phenyl]-5-[2-[2-[4-[9-[4-(dimethylamino)phenyl]fluoren-9-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione
SMILESCc1cc(C2(c3ccc(N(C)C)cc3)c3ccccc3-c3ccccc32)ccc1N1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(c3ccc(N(C)C)cc3)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O
InChIInChI=1S/C55H40F6N4O4/c1-31-28-33(52(32-14-19-36(20-15-32)62(2)3)45-12-8-6-10-39(45)40-11-7-9-13-46(40)52)18-27-47(31)65-49(67)42-26-17-35(30-44(42)51(65)69)53(54(56,57)58,55(59,60)61)34-16-25-41-43(29-34)50(68)64(48(41)66)38-23-21-37(22-24-38)63(4)5/h6-30H,1-5H3
InChIKeyNUEMDIYIMFOKJA-UHFFFAOYSA-N
XLogP11.50
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500934.94
LogP ≤ 511.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[4-(dimethylamino)phenyl]-5-[2-[2-[4-[9-[4-(dimethylamino)phenyl]fluoren-9-yl]-2-methylphenyl]-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

5-[4-[2-[4-(3,4-diacetylphenoxy)phenyl]propan-2-yl]phenoxy]-2-[4-[9-[4-(dimethylamino)-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione
CID 20758450
2-(4-fluorophenyl)-5-[1,1,1,3,3,3-hexafluoro-2-[2-(4-fluorophenyl)-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione
CID 2832096
CID 19914851
CID 19914851
5-ethynyl-2-[4-[9-[4-(5-ethynyl-1,3-dioxoisoindol-2-yl)phenyl]fluoren-9-yl]phenyl]isoindole-1,3-dione
CID 155220077
2-methyl-5-[4-[2-[4-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]propan-2-yl]phenoxy]isoindole-1,3-dione
CID 58823050
2-[4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-5-[4-[9-[4-[2-[4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]fluoren-9-yl]phenoxy]isoindole-1,3-dione
CID 171048409
4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol
CID 158006071
5-[2-(1,3-dioxoisoindol-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[5-[9-[4-[2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethoxy]phenyl]fluoren-9-yl]-2-hydroxyphenyl]isoindole-1,3-dione
CID 101222653
2-[4-[9-[4-(1,5-dihydroxy-3-oxo-1H-isoindol-2-yl)phenyl]fluoren-9-yl]phenyl]-5-hydroxyisoindole-1,3-dione
CID 122525476
5-[9-(1,3-dioxo-2-benzofuran-5-yl)fluoren-9-yl]-2-benzofuran-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione;5-[(1,3-dioxo-2-benzofuran-5-yl)oxy]-2-benzofuran-1,3-dione
CID 158523970
2-[4-[2-[3-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-5-[2-[2-[4-[2-[3-[2-[4-(2,5-dioxopyrrol-1-yl)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione
CID 121430514
2-methyl-5-[9-(2-methyl-1,3-dioxoisoindol-5-yl)fluoren-9-yl]isoindole-1,3-dione
CID 90139758

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-5-[2-[2-[4-[9-[4-(dimethylamino)phenyl]fluoren-9-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-5-[2-[2-[4-[9-[4-(dimethylamino)phenyl]fluoren-9-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione (CID 18737334) is 2-[4-(dimethylamino)phenyl]-5-[2-[2-[4-[9-[4-(dimethylamino)phenyl]fluoren-9-yl]-2-methylphenyl]-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-(dimethylamino)phenyl]-5-[2-[2-[4-[9-[4-(dimethylamino)phenyl]fluoren-9-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-5-[2-[2-[4-[9-[4-(dimethylamino)phenyl]fluoren-9-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione is Cc1cc(C2(c3ccc(N(C)C)cc3)c3ccccc3-c3ccccc32)ccc1N1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(c3ccc(N(C)C)cc3)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-5-[2-[2-[4-[9-[4-(dimethylamino)phenyl]fluoren-9-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione?
The InChIKey is NUEMDIYIMFOKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40F6N4O4/c1-31-28-33(52(32-14-19-36(20-15-32)62(2)3)45-12-8-6-10-39(45)40-11-7-9-13-46(40)52)18-27-47(31)65-49(67)42-26-17-35(30-44(42)51(65)69)53(54(56,57)58,55(59,60)61)34-16-25-41-43(29-34)50(68)64(48(41)66)38-23-21-37(22-24-38)63(4)5/h6-30H,1-5H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-5-[2-[2-[4-[9-[4-(dimethylamino)phenyl]fluoren-9-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione?
2-[4-(dimethylamino)phenyl]-5-[2-[2-[4-[9-[4-(dimethylamino)phenyl]fluoren-9-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione has a molecular weight of 934.94 g/mol, XLogP of 11.50, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-5-[2-[2-[4-[9-[4-(dimethylamino)phenyl]fluoren-9-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 18737334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).