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

C56H42F6N4O4 — CID 18737325

IUPAC5-[2-[2-[4-[9-[4-(dimethylamino)-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-(dimethylamino)phenyl]isoindole-1,3-dione
SMILESCc1cc(C2(c3ccc(N4C(=O)c5ccc(C(c6ccc7c(c6)C(=O)N(c6ccc(N(C)C)cc6)C7=O)(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C)c3)c3ccccc3-c3ccccc32)ccc1N(C)C
InChIInChI=1S/C56H42F6N4O4/c1-31-27-33(17-25-47(31)64(5)6)53(45-13-9-7-11-39(45)40-12-8-10-14-46(40)53)34-18-26-48(32(2)28-34)66-50(68)42-24-16-36(30-44(42)52(66)70)54(55(57,58)59,56(60,61)62)35-15-23-41-43(29-35)51(69)65(49(41)67)38-21-19-37(20-22-38)63(3)4/h7-30H,1-6H3
InChIKeyMVVRFLVDAMQNAA-UHFFFAOYSA-N
MW948.96 g/mol
LogP11.81
Rot. Bonds8

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

5-[2-[2-[4-[9-[4-(dimethylamino)-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-(dimethylamino)phenyl]isoindole-1,3-dione (PubChem CID 18737325) has the molecular formula C56H42F6N4O4 and a molecular weight of 948.96 g/mol. Its IUPAC name is 5-[2-[2-[4-[9-[4-(dimethylamino)-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-(dimethylamino)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-[2-[2-[4-[9-[4-(dimethylamino)-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-(dimethylamino)phenyl]isoindole-1,3-dione
PubChem CID18737325
Molecular FormulaC56H42F6N4O4
Molecular Weight948.96 g/mol
Exact Mass948.31
IUPAC Name5-[2-[2-[4-[9-[4-(dimethylamino)-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-(dimethylamino)phenyl]isoindole-1,3-dione
SMILESCc1cc(C2(c3ccc(N4C(=O)c5ccc(C(c6ccc7c(c6)C(=O)N(c6ccc(N(C)C)cc6)C7=O)(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C)c3)c3ccccc3-c3ccccc32)ccc1N(C)C
InChIInChI=1S/C56H42F6N4O4/c1-31-27-33(17-25-47(31)64(5)6)53(45-13-9-7-11-39(45)40-12-8-10-14-46(40)53)34-18-26-48(32(2)28-34)66-50(68)42-24-16-36(30-44(42)52(66)70)54(55(57,58)59,56(60,61)62)35-15-23-41-43(29-35)51(69)65(49(41)67)38-21-19-37(20-22-38)63(3)4/h7-30H,1-6H3
InChIKeyMVVRFLVDAMQNAA-UHFFFAOYSA-N
XLogP11.81
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500948.96
LogP ≤ 511.81
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 5-[2-[2-[4-[9-[4-(dimethylamino)-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-(dimethylamino)phenyl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
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
Poly[(1,3-dihydro-1,3-dioxo-2H-isoindole-2,5-diyl)[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene](1,3-dihydro-1,3-dioxo-2H-isoindole-5,2-diyl)-1,4-phenylene], I+/--[4-(1,3,3a,4,7,7a-hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)phenyl]-I-amino-
CID 165365905
(2E)-1'-benzyl-2-(1-benzyl-5-methyl-2-oxoindol-3-ylidene)-5'-fluorospiro[indene-3,3'-indole]-1,2'-dione
CID 166446904
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
N-(2,2,2-trifluoroethyl)-9-[3-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydroindol-1-yl]propyl]fluorene-9-carboxamide
CID 10122931
9-[3-[2-oxo-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-3H-indol-1-yl]propyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 10233975

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[4-[9-[4-(dimethylamino)-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-(dimethylamino)phenyl]isoindole-1,3-dione?
The IUPAC name of 5-[2-[2-[4-[9-[4-(dimethylamino)-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-(dimethylamino)phenyl]isoindole-1,3-dione (CID 18737325) is 5-[2-[2-[4-[9-[4-(dimethylamino)-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-(dimethylamino)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 5-[2-[2-[4-[9-[4-(dimethylamino)-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-(dimethylamino)phenyl]isoindole-1,3-dione?
The canonical SMILES for 5-[2-[2-[4-[9-[4-(dimethylamino)-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-(dimethylamino)phenyl]isoindole-1,3-dione is Cc1cc(C2(c3ccc(N4C(=O)c5ccc(C(c6ccc7c(c6)C(=O)N(c6ccc(N(C)C)cc6)C7=O)(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C)c3)c3ccccc3-c3ccccc32)ccc1N(C)C.
What is the InChIKey of 5-[2-[2-[4-[9-[4-(dimethylamino)-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-(dimethylamino)phenyl]isoindole-1,3-dione?
The InChIKey is MVVRFLVDAMQNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42F6N4O4/c1-31-27-33(17-25-47(31)64(5)6)53(45-13-9-7-11-39(45)40-12-8-10-14-46(40)53)34-18-26-48(32(2)28-34)66-50(68)42-24-16-36(30-44(42)52(66)70)54(55(57,58)59,56(60,61)62)35-15-23-41-43(29-35)51(69)65(49(41)67)38-21-19-37(20-22-38)63(3)4/h7-30H,1-6H3.
What are the key properties of 5-[2-[2-[4-[9-[4-(dimethylamino)-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-(dimethylamino)phenyl]isoindole-1,3-dione?
5-[2-[2-[4-[9-[4-(dimethylamino)-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-(dimethylamino)phenyl]isoindole-1,3-dione has a molecular weight of 948.96 g/mol, XLogP of 11.81, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[4-[9-[4-(dimethylamino)-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-(dimethylamino)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 18737325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).