4-[4-[9-(4-aminobutyl)-7-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]propyl]fluoren-2-yl]-9-methylfluoren-2-yl]phenyl]butanoic acid;tert-butyl 4-[4-[7-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]propyl]fluoren-2-yl]-9-methyl-9-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]fluoren-2-yl]phenyl]butanoate;deuterium monohydride;methane;2,2,2-trifluoroacetaldehyde

C198H307Br2F3N2O95 — CID 160500638

About 4-[4-[9-(4-aminobutyl)-7-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]propyl]fluoren-2-yl]-9-methylfluoren-2-yl]phenyl]butanoic acid;tert-butyl 4-[4-[7-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]propyl]fluoren-2-yl]-9-methyl-9-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]fluoren-2-yl]phenyl]butanoate;deuterium monohydride;methane;2,2,2-trifluoroacetaldehyde

4-[4-[9-(4-aminobutyl)-7-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]propyl]fluoren-2-yl]-9-methylfluoren-2-yl]phenyl]butanoic acid;tert-butyl 4-[4-[7-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]propyl]fluoren-2-yl]-9-methyl-9-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]fluoren-2-yl]phenyl]butanoate;deuterium monohydride;methane;2,2,2-trifluoroacetaldehyde (PubChem CID 160500638) has the molecular formula C198H307Br2F3N2O95 and a molecular weight of 4453.36 g/mol. Its IUPAC name is 4-[4-[9-(4-aminobutyl)-7-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]propyl]fluoren-2-yl]-9-methylfluoren-2-yl]phenyl]butanoic acid;tert-butyl 4-[4-[7-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]propyl]fluoren-2-yl]-9-methyl-9-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]fluoren-2-yl]phenyl]butanoate;deuterium monohydride;methane;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: 4-[4-[9-(4-aminobutyl)-7-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]propyl]fluoren-2-yl]-9-methylfluoren-2-yl]phenyl]butanoic acid;tert-butyl 4-[4-[7-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]propyl]fluoren-2-yl]-9-methyl-9-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]fluoren-2-yl]phenyl]butanoate;deuterium monohydride;methane;2,2,2-trifluoroacetaldehyde
• PubChem CID: 160500638
• Molecular Formula: C198H307Br2F3N2O95
• Molecular Weight: 4453.36 g/mol
• Exact Mass: 4448.76
• IUPAC Name: 4-[4-[9-(4-aminobutyl)-7-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]propyl]fluoren-2-yl]-9-methylfluoren-2-yl]phenyl]butanoic acid;tert-butyl 4-[4-[7-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]propyl]fluoren-2-yl]-9-methyl-9-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]fluoren-2-yl]phenyl]butanoate;deuterium monohydride;methane;2,2,2-trifluoroacetaldehyde
• SMILES: C.COCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOCCCC1(CCCOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOC)c2cc(Br)ccc2-c2ccc(-c3ccc4c(c3)C(C)(CCCCN)c3cc(-c5ccc(CCCC(=O)O)cc5)ccc3-4)cc21.COCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOCCCC1(CCCOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOC)c2cc(Br)ccc2-c2ccc(-c3ccc4c(c3)C(C)(CCCCNC(=O)OC(C)(C)C)c3cc(-c5ccc(CCCC(=O)OC(C)(C)C)cc5)ccc3-4)cc21.O=CC(F)(F)F.[H][2H]
• InChI: InChI=1S/C102H158BrNO48.C93H142BrNO46.C2HF3O.CH4.H2/c1-99(2,3)151-97(105)16-12-15-83-17-19-84(20-18-83)85-21-25-89-90-26-22-86(80-94(90)101(7,93(89)79-85)29-10-11-32-104-98(106)152-100(4,5)6)87-23-27-91-92-28-24-88(103)82-96(92)102(95(91)81-87,30-13-33-109-37-41-113-117-45-49-121-125-53-57-129-133-61-65-137-141-69-73-145-149-77-75-147-143-71-67-139-135-63-59-131-127-55-51-123-119-47-43-115-111-39-35-107-8)31-14-34-110-38-42-114-118-46-50-122-126-54-58-130-134-62-66-138-142-70-74-146-150-78-76-148-144-72-68-140-136-64-60-132-128-56-52-124-120-48-44-116-112-40-36-108-9;1-92(23-4-5-26-95)87-73-79(78-13-11-77(12-14-78)9-6-10-91(96)97)15-19-83(87)84-20-16-80(74-88(84)92)81-17-21-85-86-22-18-82(94)76-90(86)93(89(85)75-81,24-7-27-100-31-35-104-108-39-43-112-116-47-51-120-124-55-59-128-132-63-67-136-140-71-69-138-134-65-61-130-126-57-53-122-118-49-45-114-110-41-37-106-102-33-29-98-2)25-8-28-101-32-36-105-109-40-44-113-117-48-52-121-125-56-60-129-133-64-68-137-141-72-70-139-135-66-62-131-127-58-54-123-119-50-46-115-111-42-38-107-103-34-30-99-3;3-2(4,5)1-6;;/h17-28,79-82H,10-16,29-78H2,1-9H3,(H,104,106);11-22,73-76H,4-10,23-72,95H2,1-3H3,(H,96,97);1H;1H4;1H/i;;;;1+1
• InChIKey: QRSSLCLWCIDEJD-RCUQKECRSA-N
• XLogP: 25.90
• TPSA: 957.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 95
• Rotatable Bonds: 209
• Heavy Atoms: 300
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4453.36
LogP ≤ 5	25.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	95

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-[9-(4-aminobutyl)-7-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]propyl]fluoren-2-yl]-9-methylfluoren-2-yl]phenyl]butanoic acid;tert-butyl 4-[4-[7-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]propyl]fluoren-2-yl]-9-methyl-9-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]fluoren-2-yl]phenyl]butanoate;deuterium monohydride;methane;2,2,2-trifluoroacetaldehyde?

The IUPAC name of 4-[4-[9-(4-aminobutyl)-7-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]propyl]fluoren-2-yl]-9-methylfluoren-2-yl]phenyl]butanoic acid;tert-butyl 4-[4-[7-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]propyl]fluoren-2-yl]-9-methyl-9-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]fluoren-2-yl]phenyl]butanoate;deuterium monohydride;methane;2,2,2-trifluoroacetaldehyde (CID 160500638) is 4-[4-[9-(4-aminobutyl)-7-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]propyl]fluoren-2-yl]-9-methylfluoren-2-yl]phenyl]butanoic acid;tert-butyl 4-[4-[7-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]propyl]fluoren-2-yl]-9-methyl-9-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]fluoren-2-yl]phenyl]butanoate;deuterium monohydride;methane;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for 4-[4-[9-(4-aminobutyl)-7-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]propyl]fluoren-2-yl]-9-methylfluoren-2-yl]phenyl]butanoic acid;tert-butyl 4-[4-[7-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]propyl]fluoren-2-yl]-9-methyl-9-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]fluoren-2-yl]phenyl]butanoate;deuterium monohydride;methane;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for 4-[4-[9-(4-aminobutyl)-7-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]propyl]fluoren-2-yl]-9-methylfluoren-2-yl]phenyl]butanoic acid;tert-butyl 4-[4-[7-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]propyl]fluoren-2-yl]-9-methyl-9-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]fluoren-2-yl]phenyl]butanoate;deuterium monohydride;methane;2,2,2-trifluoroacetaldehyde is C.COCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOCCCC1(CCCOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOC)c2cc(Br)ccc2-c2ccc(-c3ccc4c(c3)C(C)(CCCCN)c3cc(-c5ccc(CCCC(=O)O)cc5)ccc3-4)cc21.COCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOCCCC1(CCCOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOOCCOC)c2cc(Br)ccc2-c2ccc(-c3ccc4c(c3)C(C)(CCCCNC(=O)OC(C)(C)C)c3cc(-c5ccc(CCCC(=O)OC(C)(C)C)cc5)ccc3-4)cc21.O=CC(F)(F)F.[H][2H].

What is the InChIKey of 4-[4-[9-(4-aminobutyl)-7-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]propyl]fluoren-2-yl]-9-methylfluoren-2-yl]phenyl]butanoic acid;tert-butyl 4-[4-[7-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]propyl]fluoren-2-yl]-9-methyl-9-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]fluoren-2-yl]phenyl]butanoate;deuterium monohydride;methane;2,2,2-trifluoroacetaldehyde?

The InChIKey is QRSSLCLWCIDEJD-RCUQKECRSA-N. The full InChI is InChI=1S/C102H158BrNO48.C93H142BrNO46.C2HF3O.CH4.H2/c1-99(2,3)151-97(105)16-12-15-83-17-19-84(20-18-83)85-21-25-89-90-26-22-86(80-94(90)101(7,93(89)79-85)29-10-11-32-104-98(106)152-100(4,5)6)87-23-27-91-92-28-24-88(103)82-96(92)102(95(91)81-87,30-13-33-109-37-41-113-117-45-49-121-125-53-57-129-133-61-65-137-141-69-73-145-149-77-75-147-143-71-67-139-135-63-59-131-127-55-51-123-119-47-43-115-111-39-35-107-8)31-14-34-110-38-42-114-118-46-50-122-126-54-58-130-134-62-66-138-142-70-74-146-150-78-76-148-144-72-68-140-136-64-60-132-128-56-52-124-120-48-44-116-112-40-36-108-9;1-92(23-4-5-26-95)87-73-79(78-13-11-77(12-14-78)9-6-10-91(96)97)15-19-83(87)84-20-16-80(74-88(84)92)81-17-21-85-86-22-18-82(94)76-90(86)93(89(85)75-81,24-7-27-100-31-35-104-108-39-43-112-116-47-51-120-124-55-59-128-132-63-67-136-140-71-69-138-134-65-61-130-126-57-53-122-118-49-45-114-110-41-37-106-102-33-29-98-2)25-8-28-101-32-36-105-109-40-44-113-117-48-52-121-125-56-60-129-133-64-68-137-141-72-70-139-135-66-62-131-127-58-54-123-119-50-46-115-111-42-38-107-103-34-30-99-3;3-2(4,5)1-6;;/h17-28,79-82H,10-16,29-78H2,1-9H3,(H,104,106);11-22,73-76H,4-10,23-72,95H2,1-3H3,(H,96,97);1H;1H4;1H/i;;;;1+1.

What are the key properties of 4-[4-[9-(4-aminobutyl)-7-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]propyl]fluoren-2-yl]-9-methylfluoren-2-yl]phenyl]butanoic acid;tert-butyl 4-[4-[7-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]propyl]fluoren-2-yl]-9-methyl-9-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]fluoren-2-yl]phenyl]butanoate;deuterium monohydride;methane;2,2,2-trifluoroacetaldehyde?

4-[4-[9-(4-aminobutyl)-7-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]propyl]fluoren-2-yl]-9-methylfluoren-2-yl]phenyl]butanoic acid;tert-butyl 4-[4-[7-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]propyl]fluoren-2-yl]-9-methyl-9-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]fluoren-2-yl]phenyl]butanoate;deuterium monohydride;methane;2,2,2-trifluoroacetaldehyde has a molecular weight of 4453.36 g/mol, XLogP of 25.90, 209 rotatable bonds, 3 hydrogen bond donors, and 95 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[9-(4-aminobutyl)-7-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]propyl]fluoren-2-yl]-9-methylfluoren-2-yl]phenyl]butanoic acid;tert-butyl 4-[4-[7-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]propyl]fluoren-2-yl]-9-methyl-9-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]fluoren-2-yl]phenyl]butanoate;deuterium monohydride;methane;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 160500638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).