[4-[2-[4-[4-[9-[4-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxycarbonyloxy)-3-methylphenyl]fluoren-9-yl]-2-methylphenoxy]carbonyloxyphenyl]butan-2-yl]phenyl] 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl carbonate

C60H42F24O9 — CID 90295520

About [4-[2-[4-[4-[9-[4-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxycarbonyloxy)-3-methylphenyl]fluoren-9-yl]-2-methylphenoxy]carbonyloxyphenyl]butan-2-yl]phenyl] 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl carbonate

[4-[2-[4-[4-[9-[4-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxycarbonyloxy)-3-methylphenyl]fluoren-9-yl]-2-methylphenoxy]carbonyloxyphenyl]butan-2-yl]phenyl] 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl carbonate (PubChem CID 90295520) has the molecular formula C60H42F24O9 and a molecular weight of 1362.94 g/mol. Its IUPAC name is [4-[2-[4-[4-[9-[4-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxycarbonyloxy)-3-methylphenyl]fluoren-9-yl]-2-methylphenoxy]carbonyloxyphenyl]butan-2-yl]phenyl] 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl carbonate.

Molecular Properties

• Compound Name: [4-[2-[4-[4-[9-[4-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxycarbonyloxy)-3-methylphenyl]fluoren-9-yl]-2-methylphenoxy]carbonyloxyphenyl]butan-2-yl]phenyl] 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl carbonate
• PubChem CID: 90295520
• Molecular Formula: C60H42F24O9
• Molecular Weight: 1362.94 g/mol
• Exact Mass: 1362.24
• IUPAC Name: [4-[2-[4-[4-[9-[4-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxycarbonyloxy)-3-methylphenyl]fluoren-9-yl]-2-methylphenoxy]carbonyloxyphenyl]butan-2-yl]phenyl] 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl carbonate
• SMILES: CCC(C)(c1ccc(OC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)cc1)c1ccc(OC(=O)Oc2ccc(C3(c4ccc(OC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)c(C)c4)c4ccccc4-c4ccccc43)cc2C)cc1
• InChI: InChI=1S/C60H42F24O9/c1-5-49(4,32-14-20-36(21-15-32)90-46(85)88-28-50(65,66)55(73,74)59(81,82)57(77,78)53(69,70)44(61)62)33-16-22-37(23-17-33)91-48(87)93-43-25-19-35(27-31(43)3)52(40-12-8-6-10-38(40)39-11-7-9-13-41(39)52)34-18-24-42(30(2)26-34)92-47(86)89-29-51(67,68)56(75,76)60(83,84)58(79,80)54(71,72)45(63)64/h6-27,44-45H,5,28-29H2,1-4H3
• InChIKey: ZYYCEBFHBKVCAS-UHFFFAOYSA-N
• XLogP: 18.87
• TPSA: 106.59 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 23
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1362.94
LogP ≤ 5	18.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-[4-[9-[4-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxycarbonyloxy)-3-methylphenyl]fluoren-9-yl]-2-methylphenoxy]carbonyloxyphenyl]butan-2-yl]phenyl] 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl carbonate?

The IUPAC name of [4-[2-[4-[4-[9-[4-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxycarbonyloxy)-3-methylphenyl]fluoren-9-yl]-2-methylphenoxy]carbonyloxyphenyl]butan-2-yl]phenyl] 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl carbonate (CID 90295520) is [4-[2-[4-[4-[9-[4-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxycarbonyloxy)-3-methylphenyl]fluoren-9-yl]-2-methylphenoxy]carbonyloxyphenyl]butan-2-yl]phenyl] 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl carbonate.

What is the SMILES notation for [4-[2-[4-[4-[9-[4-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxycarbonyloxy)-3-methylphenyl]fluoren-9-yl]-2-methylphenoxy]carbonyloxyphenyl]butan-2-yl]phenyl] 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl carbonate?

The canonical SMILES for [4-[2-[4-[4-[9-[4-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxycarbonyloxy)-3-methylphenyl]fluoren-9-yl]-2-methylphenoxy]carbonyloxyphenyl]butan-2-yl]phenyl] 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl carbonate is CCC(C)(c1ccc(OC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)cc1)c1ccc(OC(=O)Oc2ccc(C3(c4ccc(OC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)c(C)c4)c4ccccc4-c4ccccc43)cc2C)cc1.

What is the InChIKey of [4-[2-[4-[4-[9-[4-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxycarbonyloxy)-3-methylphenyl]fluoren-9-yl]-2-methylphenoxy]carbonyloxyphenyl]butan-2-yl]phenyl] 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl carbonate?

The InChIKey is ZYYCEBFHBKVCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42F24O9/c1-5-49(4,32-14-20-36(21-15-32)90-46(85)88-28-50(65,66)55(73,74)59(81,82)57(77,78)53(69,70)44(61)62)33-16-22-37(23-17-33)91-48(87)93-43-25-19-35(27-31(43)3)52(40-12-8-6-10-38(40)39-11-7-9-13-41(39)52)34-18-24-42(30(2)26-34)92-47(86)89-29-51(67,68)56(75,76)60(83,84)58(79,80)54(71,72)45(63)64/h6-27,44-45H,5,28-29H2,1-4H3.

What are the key properties of [4-[2-[4-[4-[9-[4-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxycarbonyloxy)-3-methylphenyl]fluoren-9-yl]-2-methylphenoxy]carbonyloxyphenyl]butan-2-yl]phenyl] 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl carbonate?

[4-[2-[4-[4-[9-[4-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxycarbonyloxy)-3-methylphenyl]fluoren-9-yl]-2-methylphenoxy]carbonyloxyphenyl]butan-2-yl]phenyl] 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl carbonate has a molecular weight of 1362.94 g/mol, XLogP of 18.87, 23 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-[4-[4-[9-[4-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxycarbonyloxy)-3-methylphenyl]fluoren-9-yl]-2-methylphenoxy]carbonyloxyphenyl]butan-2-yl]phenyl] 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl carbonate is sourced from PubChem (CID 90295520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).