5-(5,8-dioxo-6,7-dihydronaphthalen-2-yl)-2-[4-[9-[4-[5-[2-(5,8-dioxo-6,7-dihydronaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-3,5-diethylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione

C69H46F6N2O8 — CID 18737320

IUPAC5-(5,8-dioxo-6,7-dihydronaphthalen-2-yl)-2-[4-[9-[4-[5-[2-(5,8-dioxo-6,7-dihydronaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-3,5-diethylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione
SMILESCCc1cc(C2(c3ccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)CCC7=O)cc5C4=O)c(C)c3)c3ccccc3-c3ccccc32)cc(CC)c1N1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)CCC4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O
InChIInChI=1S/C69H46F6N2O8/c1-4-36-29-43(30-37(5-2)61(36)77-63(83)49-22-17-42(34-53(49)65(77)85)67(68(70,71)72,69(73,74)75)41-16-21-47-51(33-41)60(81)27-25-58(47)79)66(54-12-8-6-10-44(54)45-11-7-9-13-55(45)66)40-18-23-56(35(3)28-40)76-62(82)48-20-15-39(32-52(48)64(76)84)38-14-19-46-50(31-38)59(80)26-24-57(46)78/h6-23,28-34H,4-5,24-27H2,1-3H3
InChIKeyKOSYNWSJLJEKSX-UHFFFAOYSA-N
MW1145.12 g/mol
LogP14.48
Rot. Bonds9

About 5-(5,8-dioxo-6,7-dihydronaphthalen-2-yl)-2-[4-[9-[4-[5-[2-(5,8-dioxo-6,7-dihydronaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-3,5-diethylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione

5-(5,8-dioxo-6,7-dihydronaphthalen-2-yl)-2-[4-[9-[4-[5-[2-(5,8-dioxo-6,7-dihydronaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-3,5-diethylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione (PubChem CID 18737320) has the molecular formula C69H46F6N2O8 and a molecular weight of 1145.12 g/mol. Its IUPAC name is 5-(5,8-dioxo-6,7-dihydronaphthalen-2-yl)-2-[4-[9-[4-[5-[2-(5,8-dioxo-6,7-dihydronaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-3,5-diethylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-(5,8-dioxo-6,7-dihydronaphthalen-2-yl)-2-[4-[9-[4-[5-[2-(5,8-dioxo-6,7-dihydronaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-3,5-diethylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione
PubChem CID18737320
Molecular FormulaC69H46F6N2O8
Molecular Weight1145.12 g/mol
Exact Mass1144.32
IUPAC Name5-(5,8-dioxo-6,7-dihydronaphthalen-2-yl)-2-[4-[9-[4-[5-[2-(5,8-dioxo-6,7-dihydronaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-3,5-diethylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione
SMILESCCc1cc(C2(c3ccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)CCC7=O)cc5C4=O)c(C)c3)c3ccccc3-c3ccccc32)cc(CC)c1N1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)CCC4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O
InChIInChI=1S/C69H46F6N2O8/c1-4-36-29-43(30-37(5-2)61(36)77-63(83)49-22-17-42(34-53(49)65(77)85)67(68(70,71)72,69(73,74)75)41-16-21-47-51(33-41)60(81)27-25-58(47)79)66(54-12-8-6-10-44(54)45-11-7-9-13-55(45)66)40-18-23-56(35(3)28-40)76-62(82)48-20-15-39(32-52(48)64(76)84)38-14-19-46-50(31-38)59(80)26-24-57(46)78/h6-23,28-34H,4-5,24-27H2,1-3H3
InChIKeyKOSYNWSJLJEKSX-UHFFFAOYSA-N
XLogP14.48
TPSA143.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001145.12
LogP ≤ 514.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_gamma(5)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 5-(5,8-dioxo-6,7-dihydronaphthalen-2-yl)-2-[4-[9-[4-[5-[2-(5,8-dioxo-6,7-dihydronaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-3,5-diethylphenyl]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-(5,8-dioxo-6,7-dihydronaphthalen-2-yl)-2-[4-[9-[4-[5-[2-(5,8-dioxo-6,7-dihydronaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-3,5-diethylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione?
The IUPAC name of 5-(5,8-dioxo-6,7-dihydronaphthalen-2-yl)-2-[4-[9-[4-[5-[2-(5,8-dioxo-6,7-dihydronaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-3,5-diethylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione (CID 18737320) is 5-(5,8-dioxo-6,7-dihydronaphthalen-2-yl)-2-[4-[9-[4-[5-[2-(5,8-dioxo-6,7-dihydronaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-3,5-diethylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione.
What is the SMILES notation for 5-(5,8-dioxo-6,7-dihydronaphthalen-2-yl)-2-[4-[9-[4-[5-[2-(5,8-dioxo-6,7-dihydronaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-3,5-diethylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione?
The canonical SMILES for 5-(5,8-dioxo-6,7-dihydronaphthalen-2-yl)-2-[4-[9-[4-[5-[2-(5,8-dioxo-6,7-dihydronaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-3,5-diethylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione is CCc1cc(C2(c3ccc(N4C(=O)c5ccc(-c6ccc7c(c6)C(=O)CCC7=O)cc5C4=O)c(C)c3)c3ccccc3-c3ccccc32)cc(CC)c1N1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)CCC4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O.
What is the InChIKey of 5-(5,8-dioxo-6,7-dihydronaphthalen-2-yl)-2-[4-[9-[4-[5-[2-(5,8-dioxo-6,7-dihydronaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-3,5-diethylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione?
The InChIKey is KOSYNWSJLJEKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46F6N2O8/c1-4-36-29-43(30-37(5-2)61(36)77-63(83)49-22-17-42(34-53(49)65(77)85)67(68(70,71)72,69(73,74)75)41-16-21-47-51(33-41)60(81)27-25-58(47)79)66(54-12-8-6-10-44(54)45-11-7-9-13-55(45)66)40-18-23-56(35(3)28-40)76-62(82)48-20-15-39(32-52(48)64(76)84)38-14-19-46-50(31-38)59(80)26-24-57(46)78/h6-23,28-34H,4-5,24-27H2,1-3H3.
What are the key properties of 5-(5,8-dioxo-6,7-dihydronaphthalen-2-yl)-2-[4-[9-[4-[5-[2-(5,8-dioxo-6,7-dihydronaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-3,5-diethylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione?
5-(5,8-dioxo-6,7-dihydronaphthalen-2-yl)-2-[4-[9-[4-[5-[2-(5,8-dioxo-6,7-dihydronaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-3,5-diethylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione has a molecular weight of 1145.12 g/mol, XLogP of 14.48, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,8-dioxo-6,7-dihydronaphthalen-2-yl)-2-[4-[9-[4-[5-[2-(5,8-dioxo-6,7-dihydronaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-3,5-diethylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione is sourced from PubChem (CID 18737320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).