4-[4-[7-[9-(4-aminobutyl)-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenyl]butanoic acid;4-[4-[7-[9-[4-(3,3-dimethylbutanoylamino)butyl]-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenyl]butanoic acid

C204H318B2N2O57 — CID 157336263

About 4-[4-[7-[9-(4-aminobutyl)-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenyl]butanoic acid;4-[4-[7-[9-[4-(3,3-dimethylbutanoylamino)butyl]-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenyl]butanoic acid

4-[4-[7-[9-(4-aminobutyl)-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenyl]butanoic acid;4-[4-[7-[9-[4-(3,3-dimethylbutanoylamino)butyl]-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenyl]butanoic acid (PubChem CID 157336263) has the molecular formula C204H318B2N2O57 and a molecular weight of 3732.37 g/mol. Its IUPAC name is 4-[4-[7-[9-(4-aminobutyl)-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenyl]butanoic acid;4-[4-[7-[9-[4-(3,3-dimethylbutanoylamino)butyl]-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenyl]butanoic acid.

Molecular Properties

• Compound Name: 4-[4-[7-[9-(4-aminobutyl)-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenyl]butanoic acid;4-[4-[7-[9-[4-(3,3-dimethylbutanoylamino)butyl]-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenyl]butanoic acid
• PubChem CID: 157336263
• Molecular Formula: C204H318B2N2O57
• Molecular Weight: 3732.37 g/mol
• Exact Mass: 3730.22
• IUPAC Name: 4-[4-[7-[9-(4-aminobutyl)-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenyl]butanoic acid;4-[4-[7-[9-[4-(3,3-dimethylbutanoylamino)butyl]-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenyl]butanoic acid
• SMILES: COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCC1(CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c2cc(-c3ccc(CCCC(=O)O)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(CCCCN)c3cc(B5OC(C)(C)C(C)(C)O5)ccc3-4)cc21.COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCC1(CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c2cc(-c3ccc(CCCC(=O)O)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(CCCCNC(=O)CC(C)(C)C)c3cc(B5OC(C)(C)C(C)(C)O5)ccc3-4)cc21
• InChI: InChI=1S/C105H164BNO29.C99H154BNO28/c1-101(2,3)84-99(108)107-33-12-11-30-104(8)95-80-88(23-26-91(95)92-29-25-90(83-96(92)104)106-135-102(4,5)103(6,7)136-106)89-24-28-94-93-27-22-87(86-20-18-85(19-21-86)16-13-17-100(109)110)81-97(93)105(98(94)82-89,31-14-34-113-40-42-117-48-50-121-56-58-125-64-66-129-72-74-133-78-76-131-70-68-127-62-60-123-54-52-119-46-44-115-38-36-111-9)32-15-35-114-41-43-118-49-51-122-57-59-126-65-67-130-73-75-134-79-77-132-71-69-128-63-61-124-55-53-120-47-45-116-39-37-112-10;1-96(2)97(3,4)129-100(128-96)86-22-26-88-87-23-20-84(77-91(87)98(5,92(88)80-86)27-8-9-30-101)85-21-25-90-89-24-19-83(82-17-15-81(16-18-82)13-10-14-95(102)103)78-93(89)99(94(90)79-85,28-11-31-106-37-39-110-45-47-114-53-55-118-61-63-122-69-71-126-75-73-124-67-65-120-59-57-116-51-49-112-43-41-108-35-33-104-6)29-12-32-107-38-40-111-46-48-115-54-56-119-62-64-123-70-72-127-76-74-125-68-66-121-60-58-117-52-50-113-44-42-109-36-34-105-7/h18-29,80-83H,11-17,30-79,84H2,1-10H3,(H,107,108)(H,109,110);15-26,77-80H,8-14,27-76,101H2,1-7H3,(H,102,103)
• InChIKey: BFWIXZMGQUSDMF-UHFFFAOYSA-N
• XLogP: 24.85
• TPSA: 609.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 56
• Rotatable Bonds: 172
• Heavy Atoms: 265
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3732.37
LogP ≤ 5	24.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	56

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-[7-[9-(4-aminobutyl)-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenyl]butanoic acid;4-[4-[7-[9-[4-(3,3-dimethylbutanoylamino)butyl]-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenyl]butanoic acid?

The IUPAC name of 4-[4-[7-[9-(4-aminobutyl)-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenyl]butanoic acid;4-[4-[7-[9-[4-(3,3-dimethylbutanoylamino)butyl]-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenyl]butanoic acid (CID 157336263) is 4-[4-[7-[9-(4-aminobutyl)-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenyl]butanoic acid;4-[4-[7-[9-[4-(3,3-dimethylbutanoylamino)butyl]-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenyl]butanoic acid.

What is the SMILES notation for 4-[4-[7-[9-(4-aminobutyl)-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenyl]butanoic acid;4-[4-[7-[9-[4-(3,3-dimethylbutanoylamino)butyl]-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenyl]butanoic acid?

The canonical SMILES for 4-[4-[7-[9-(4-aminobutyl)-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenyl]butanoic acid;4-[4-[7-[9-[4-(3,3-dimethylbutanoylamino)butyl]-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenyl]butanoic acid is COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCC1(CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c2cc(-c3ccc(CCCC(=O)O)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(CCCCN)c3cc(B5OC(C)(C)C(C)(C)O5)ccc3-4)cc21.COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCC1(CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c2cc(-c3ccc(CCCC(=O)O)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(CCCCNC(=O)CC(C)(C)C)c3cc(B5OC(C)(C)C(C)(C)O5)ccc3-4)cc21.

What is the InChIKey of 4-[4-[7-[9-(4-aminobutyl)-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenyl]butanoic acid;4-[4-[7-[9-[4-(3,3-dimethylbutanoylamino)butyl]-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenyl]butanoic acid?

The InChIKey is BFWIXZMGQUSDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H164BNO29.C99H154BNO28/c1-101(2,3)84-99(108)107-33-12-11-30-104(8)95-80-88(23-26-91(95)92-29-25-90(83-96(92)104)106-135-102(4,5)103(6,7)136-106)89-24-28-94-93-27-22-87(86-20-18-85(19-21-86)16-13-17-100(109)110)81-97(93)105(98(94)82-89,31-14-34-113-40-42-117-48-50-121-56-58-125-64-66-129-72-74-133-78-76-131-70-68-127-62-60-123-54-52-119-46-44-115-38-36-111-9)32-15-35-114-41-43-118-49-51-122-57-59-126-65-67-130-73-75-134-79-77-132-71-69-128-63-61-124-55-53-120-47-45-116-39-37-112-10;1-96(2)97(3,4)129-100(128-96)86-22-26-88-87-23-20-84(77-91(87)98(5,92(88)80-86)27-8-9-30-101)85-21-25-90-89-24-19-83(82-17-15-81(16-18-82)13-10-14-95(102)103)78-93(89)99(94(90)79-85,28-11-31-106-37-39-110-45-47-114-53-55-118-61-63-122-69-71-126-75-73-124-67-65-120-59-57-116-51-49-112-43-41-108-35-33-104-6)29-12-32-107-38-40-111-46-48-115-54-56-119-62-64-123-70-72-127-76-74-125-68-66-121-60-58-117-52-50-113-44-42-109-36-34-105-7/h18-29,80-83H,11-17,30-79,84H2,1-10H3,(H,107,108)(H,109,110);15-26,77-80H,8-14,27-76,101H2,1-7H3,(H,102,103).

What are the key properties of 4-[4-[7-[9-(4-aminobutyl)-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenyl]butanoic acid;4-[4-[7-[9-[4-(3,3-dimethylbutanoylamino)butyl]-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenyl]butanoic acid?

4-[4-[7-[9-(4-aminobutyl)-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenyl]butanoic acid;4-[4-[7-[9-[4-(3,3-dimethylbutanoylamino)butyl]-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenyl]butanoic acid has a molecular weight of 3732.37 g/mol, XLogP of 24.85, 172 rotatable bonds, 4 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[7-[9-(4-aminobutyl)-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenyl]butanoic acid;4-[4-[7-[9-[4-(3,3-dimethylbutanoylamino)butyl]-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenyl]butanoic acid is sourced from PubChem (CID 157336263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).