5-[2-[4-(N-[7-(N-[4-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-phenylfluoren-2-yl]phenyl]-4-methylanilino)-9,9-dioctylfluoren-2-yl]-4-methylanilino)phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid

C149H160N2O24 — CID 164738594

About 5-[2-[4-(N-[7-(N-[4-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-phenylfluoren-2-yl]phenyl]-4-methylanilino)-9,9-dioctylfluoren-2-yl]-4-methylanilino)phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid

5-[2-[4-(N-[7-(N-[4-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-phenylfluoren-2-yl]phenyl]-4-methylanilino)-9,9-dioctylfluoren-2-yl]-4-methylanilino)phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid (PubChem CID 164738594) has the molecular formula C149H160N2O24 and a molecular weight of 2362.91 g/mol. Its IUPAC name is 5-[2-[4-(N-[7-(N-[4-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-phenylfluoren-2-yl]phenyl]-4-methylanilino)-9,9-dioctylfluoren-2-yl]-4-methylanilino)phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid.

Molecular Properties

• Compound Name: 5-[2-[4-(N-[7-(N-[4-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-phenylfluoren-2-yl]phenyl]-4-methylanilino)-9,9-dioctylfluoren-2-yl]-4-methylanilino)phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid
• PubChem CID: 164738594
• Molecular Formula: C149H160N2O24
• Molecular Weight: 2362.91 g/mol
• Exact Mass: 2361.14
• IUPAC Name: 5-[2-[4-(N-[7-(N-[4-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-phenylfluoren-2-yl]phenyl]-4-methylanilino)-9,9-dioctylfluoren-2-yl]-4-methylanilino)phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid
• SMILES: CCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccc(C)cc3)c3ccc(-c4ccc5c(c4)C(c4ccc(COCCOCCOCCO)c(C(=O)O)c4)(c4ccc(OCCOCCOCCOC)c(C(=O)O)c4)c4cc(-c6ccccc6)ccc4-5)cc3)ccc2-c2ccc(N(c3ccc(C)cc3)c3ccc(-c4ccc5c(c4)C(c4ccc(COCCOCCOCCO)c(C(=O)O)c4)(c4ccc(OCCOCCOCCOC)c(C(=O)O)c4)c4cc(-c6ccccc6)ccc4-5)cc3)cc21
• InChI: InChI=1S/C149H160N2O24/c1-7-9-11-13-15-23-65-147(66-24-16-14-12-10-8-2)135-99-123(150(119-47-29-103(3)30-48-119)121-51-35-107(36-52-121)111-41-59-129-127-57-39-109(105-25-19-17-20-26-105)91-137(127)148(139(129)93-111,115-43-33-113(131(95-115)143(154)155)101-172-85-83-168-77-75-164-69-67-152)117-45-63-141(133(97-117)145(158)159)174-89-87-170-81-79-166-73-71-162-5)55-61-125(135)126-62-56-124(100-136(126)147)151(120-49-31-104(4)32-50-120)122-53-37-108(38-54-122)112-42-60-130-128-58-40-110(106-27-21-18-22-28-106)92-138(128)149(140(130)94-112,116-44-34-114(132(96-116)144(156)157)102-173-86-84-169-78-76-165-70-68-153)118-46-64-142(134(98-118)146(160)161)175-90-88-171-82-80-167-74-72-163-6/h17-22,25-64,91-100,152-153H,7-16,23-24,65-90,101-102H2,1-6H3,(H,154,155)(H,156,157)(H,158,159)(H,160,161)
• InChIKey: FSNXWZPLQQEOHK-UHFFFAOYSA-N
• XLogP: 30.40
• TPSA: 325.36 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 72
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2362.91
LogP ≤ 5	30.40
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(N-[7-(N-[4-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-phenylfluoren-2-yl]phenyl]-4-methylanilino)-9,9-dioctylfluoren-2-yl]-4-methylanilino)phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid?

The IUPAC name of 5-[2-[4-(N-[7-(N-[4-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-phenylfluoren-2-yl]phenyl]-4-methylanilino)-9,9-dioctylfluoren-2-yl]-4-methylanilino)phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid (CID 164738594) is 5-[2-[4-(N-[7-(N-[4-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-phenylfluoren-2-yl]phenyl]-4-methylanilino)-9,9-dioctylfluoren-2-yl]-4-methylanilino)phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid.

What is the SMILES notation for 5-[2-[4-(N-[7-(N-[4-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-phenylfluoren-2-yl]phenyl]-4-methylanilino)-9,9-dioctylfluoren-2-yl]-4-methylanilino)phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid?

The canonical SMILES for 5-[2-[4-(N-[7-(N-[4-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-phenylfluoren-2-yl]phenyl]-4-methylanilino)-9,9-dioctylfluoren-2-yl]-4-methylanilino)phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid is CCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccc(C)cc3)c3ccc(-c4ccc5c(c4)C(c4ccc(COCCOCCOCCO)c(C(=O)O)c4)(c4ccc(OCCOCCOCCOC)c(C(=O)O)c4)c4cc(-c6ccccc6)ccc4-5)cc3)ccc2-c2ccc(N(c3ccc(C)cc3)c3ccc(-c4ccc5c(c4)C(c4ccc(COCCOCCOCCO)c(C(=O)O)c4)(c4ccc(OCCOCCOCCOC)c(C(=O)O)c4)c4cc(-c6ccccc6)ccc4-5)cc3)cc21.

What is the InChIKey of 5-[2-[4-(N-[7-(N-[4-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-phenylfluoren-2-yl]phenyl]-4-methylanilino)-9,9-dioctylfluoren-2-yl]-4-methylanilino)phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid?

The InChIKey is FSNXWZPLQQEOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C149H160N2O24/c1-7-9-11-13-15-23-65-147(66-24-16-14-12-10-8-2)135-99-123(150(119-47-29-103(3)30-48-119)121-51-35-107(36-52-121)111-41-59-129-127-57-39-109(105-25-19-17-20-26-105)91-137(127)148(139(129)93-111,115-43-33-113(131(95-115)143(154)155)101-172-85-83-168-77-75-164-69-67-152)117-45-63-141(133(97-117)145(158)159)174-89-87-170-81-79-166-73-71-162-5)55-61-125(135)126-62-56-124(100-136(126)147)151(120-49-31-104(4)32-50-120)122-53-37-108(38-54-122)112-42-60-130-128-58-40-110(106-27-21-18-22-28-106)92-138(128)149(140(130)94-112,116-44-34-114(132(96-116)144(156)157)102-173-86-84-169-78-76-165-70-68-153)118-46-64-142(134(98-118)146(160)161)175-90-88-171-82-80-167-74-72-163-6/h17-22,25-64,91-100,152-153H,7-16,23-24,65-90,101-102H2,1-6H3,(H,154,155)(H,156,157)(H,158,159)(H,160,161).

What are the key properties of 5-[2-[4-(N-[7-(N-[4-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-phenylfluoren-2-yl]phenyl]-4-methylanilino)-9,9-dioctylfluoren-2-yl]-4-methylanilino)phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid?

5-[2-[4-(N-[7-(N-[4-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-phenylfluoren-2-yl]phenyl]-4-methylanilino)-9,9-dioctylfluoren-2-yl]-4-methylanilino)phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid has a molecular weight of 2362.91 g/mol, XLogP of 30.40, 72 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[4-(N-[7-(N-[4-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-phenylfluoren-2-yl]phenyl]-4-methylanilino)-9,9-dioctylfluoren-2-yl]-4-methylanilino)phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid is sourced from PubChem (CID 164738594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).