5-[2-[7-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-2-yl]-9-heptadecan-9-ylcarbazol-2-yl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid

C125H143NO24 — CID 164738578

About 5-[2-[7-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-2-yl]-9-heptadecan-9-ylcarbazol-2-yl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid

5-[2-[7-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-2-yl]-9-heptadecan-9-ylcarbazol-2-yl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid (PubChem CID 164738578) has the molecular formula C125H143NO24 and a molecular weight of 2043.50 g/mol. Its IUPAC name is 5-[2-[7-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-2-yl]-9-heptadecan-9-ylcarbazol-2-yl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid.

Molecular Properties

• Compound Name: 5-[2-[7-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-2-yl]-9-heptadecan-9-ylcarbazol-2-yl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid
• PubChem CID: 164738578
• Molecular Formula: C125H143NO24
• Molecular Weight: 2043.50 g/mol
• Exact Mass: 2042.00
• IUPAC Name: 5-[2-[7-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-2-yl]-9-heptadecan-9-ylcarbazol-2-yl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid
• SMILES: CCCCCCCCC(CCCCCCCC)n1c2cc(-c3cc4c(cc3C)-c3ccc(-c5ccccc5)cc3C4(c3ccc(COCCOCCOCCO)c(C(=O)O)c3)c3ccc(OCCOCCOCCOC)c(C(=O)O)c3)ccc2c2ccc(-c3cc4c(cc3C)-c3ccc(-c5ccccc5)cc3C4(c3ccc(COCCOCCOCCO)c(C(=O)O)c3)c3ccc(OCCOCCOCCOC)c(C(=O)O)c3)cc21
• InChI: InChI=1S/C125H143NO24/c1-7-9-11-13-15-23-29-99(30-24-16-14-12-10-8-2)126-116-75-91(104-81-114-108(71-85(104)3)100-41-33-89(87-25-19-17-20-26-87)73-112(100)124(114,95-37-31-93(106(77-95)120(129)130)83-147-65-63-143-57-55-139-49-47-127)97-39-45-118(110(79-97)122(133)134)149-69-67-145-61-59-141-53-51-137-5)35-43-102(116)103-44-36-92(76-117(103)126)105-82-115-109(72-86(105)4)101-42-34-90(88-27-21-18-22-28-88)74-113(101)125(115,96-38-32-94(107(78-96)121(131)132)84-148-66-64-144-58-56-140-50-48-128)98-40-46-119(111(80-98)123(135)136)150-70-68-146-62-60-142-54-52-138-6/h17-22,25-28,31-46,71-82,99,127-128H,7-16,23-24,29-30,47-70,83-84H2,1-6H3,(H,129,130)(H,131,132)(H,133,134)(H,135,136)
• InChIKey: OYGHMZNYSGWPGE-UHFFFAOYSA-N
• XLogP: 23.84
• TPSA: 323.81 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 67
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2043.50
LogP ≤ 5	23.84
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-[2-[7-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-2-yl]-9-heptadecan-9-ylcarbazol-2-yl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid (CID 164738578) is 5-[2-[7-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-2-yl]-9-heptadecan-9-ylcarbazol-2-yl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid.

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

The canonical SMILES for 5-[2-[7-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-2-yl]-9-heptadecan-9-ylcarbazol-2-yl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid is CCCCCCCCC(CCCCCCCC)n1c2cc(-c3cc4c(cc3C)-c3ccc(-c5ccccc5)cc3C4(c3ccc(COCCOCCOCCO)c(C(=O)O)c3)c3ccc(OCCOCCOCCOC)c(C(=O)O)c3)ccc2c2ccc(-c3cc4c(cc3C)-c3ccc(-c5ccccc5)cc3C4(c3ccc(COCCOCCOCCO)c(C(=O)O)c3)c3ccc(OCCOCCOCCOC)c(C(=O)O)c3)cc21.

What is the InChIKey of 5-[2-[7-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-2-yl]-9-heptadecan-9-ylcarbazol-2-yl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid?

The InChIKey is OYGHMZNYSGWPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C125H143NO24/c1-7-9-11-13-15-23-29-99(30-24-16-14-12-10-8-2)126-116-75-91(104-81-114-108(71-85(104)3)100-41-33-89(87-25-19-17-20-26-87)73-112(100)124(114,95-37-31-93(106(77-95)120(129)130)83-147-65-63-143-57-55-139-49-47-127)97-39-45-118(110(79-97)122(133)134)149-69-67-145-61-59-141-53-51-137-5)35-43-102(116)103-44-36-92(76-117(103)126)105-82-115-109(72-86(105)4)101-42-34-90(88-27-21-18-22-28-88)74-113(101)125(115,96-38-32-94(107(78-96)121(131)132)84-148-66-64-144-58-56-140-50-48-128)98-40-46-119(111(80-98)123(135)136)150-70-68-146-62-60-142-54-52-138-6/h17-22,25-28,31-46,71-82,99,127-128H,7-16,23-24,29-30,47-70,83-84H2,1-6H3,(H,129,130)(H,131,132)(H,133,134)(H,135,136).

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

5-[2-[7-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-2-yl]-9-heptadecan-9-ylcarbazol-2-yl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid has a molecular weight of 2043.50 g/mol, XLogP of 23.84, 67 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[7-[9-[3-carboxy-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-2-yl]-9-heptadecan-9-ylcarbazol-2-yl]-9-[3-carboxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid is sourced from PubChem (CID 164738578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).