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

C58H46F6N4O4 — CID 18737333

IUPAC5-[2-[2-[4-(dimethylamino)-2,5-dimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-[9-[4-(dimethylamino)-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione
SMILESCc1cc(C2(c3ccc(N4C(=O)c5ccc(C(c6ccc7c(c6)C(=O)N(c6cc(C)c(N(C)C)cc6C)C7=O)(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C)c3)c3ccccc3-c3ccccc32)ccc1N(C)C
InChIInChI=1S/C58H46F6N4O4/c1-31-25-35(19-23-47(31)65(5)6)55(45-15-11-9-13-39(45)40-14-10-12-16-46(40)55)36-20-24-48(32(2)26-36)67-51(69)41-21-17-37(29-43(41)53(67)71)56(57(59,60)61,58(62,63)64)38-18-22-42-44(30-38)54(72)68(52(42)70)50-28-33(3)49(66(7)8)27-34(50)4/h9-30H,1-8H3
InChIKeyOZBZBEVBHZSDLK-UHFFFAOYSA-N
MW977.02 g/mol
LogP12.43
Rot. Bonds8

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

5-[2-[2-[4-(dimethylamino)-2,5-dimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-[9-[4-(dimethylamino)-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione (PubChem CID 18737333) has the molecular formula C58H46F6N4O4 and a molecular weight of 977.02 g/mol. Its IUPAC name is 5-[2-[2-[4-(dimethylamino)-2,5-dimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-[9-[4-(dimethylamino)-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-[2-[2-[4-(dimethylamino)-2,5-dimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-[9-[4-(dimethylamino)-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione
PubChem CID18737333
Molecular FormulaC58H46F6N4O4
Molecular Weight977.02 g/mol
Exact Mass976.34
IUPAC Name5-[2-[2-[4-(dimethylamino)-2,5-dimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-[9-[4-(dimethylamino)-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione
SMILESCc1cc(C2(c3ccc(N4C(=O)c5ccc(C(c6ccc7c(c6)C(=O)N(c6cc(C)c(N(C)C)cc6C)C7=O)(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C)c3)c3ccccc3-c3ccccc32)ccc1N(C)C
InChIInChI=1S/C58H46F6N4O4/c1-31-25-35(19-23-47(31)65(5)6)55(45-15-11-9-13-39(45)40-14-10-12-16-46(40)55)36-20-24-48(32(2)26-36)67-51(69)41-21-17-37(29-43(41)53(67)71)56(57(59,60)61,58(62,63)64)38-18-22-42-44(30-38)54(72)68(52(42)70)50-28-33(3)49(66(7)8)27-34(50)4/h9-30H,1-8H3
InChIKeyOZBZBEVBHZSDLK-UHFFFAOYSA-N
XLogP12.43
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.02
LogP ≤ 512.43
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-(dimethylamino)-2,5-dimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-[9-[4-(dimethylamino)-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[4-(dimethylamino)-2,5-dimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-[9-[4-(dimethylamino)-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione?
The IUPAC name of 5-[2-[2-[4-(dimethylamino)-2,5-dimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-[9-[4-(dimethylamino)-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione (CID 18737333) is 5-[2-[2-[4-(dimethylamino)-2,5-dimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-[9-[4-(dimethylamino)-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione.
What is the SMILES notation for 5-[2-[2-[4-(dimethylamino)-2,5-dimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-[9-[4-(dimethylamino)-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione?
The canonical SMILES for 5-[2-[2-[4-(dimethylamino)-2,5-dimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-[9-[4-(dimethylamino)-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione is Cc1cc(C2(c3ccc(N4C(=O)c5ccc(C(c6ccc7c(c6)C(=O)N(c6cc(C)c(N(C)C)cc6C)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-(dimethylamino)-2,5-dimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-[9-[4-(dimethylamino)-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione?
The InChIKey is OZBZBEVBHZSDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H46F6N4O4/c1-31-25-35(19-23-47(31)65(5)6)55(45-15-11-9-13-39(45)40-14-10-12-16-46(40)55)36-20-24-48(32(2)26-36)67-51(69)41-21-17-37(29-43(41)53(67)71)56(57(59,60)61,58(62,63)64)38-18-22-42-44(30-38)54(72)68(52(42)70)50-28-33(3)49(66(7)8)27-34(50)4/h9-30H,1-8H3.
What are the key properties of 5-[2-[2-[4-(dimethylamino)-2,5-dimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-[9-[4-(dimethylamino)-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione?
5-[2-[2-[4-(dimethylamino)-2,5-dimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-[9-[4-(dimethylamino)-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione has a molecular weight of 977.02 g/mol, XLogP of 12.43, 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-(dimethylamino)-2,5-dimethylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-[9-[4-(dimethylamino)-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione is sourced from PubChem (CID 18737333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).