2-[(E)-2-[4-[(E)-2-[9,9-bis[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-bis[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluorene;tert-butyl 6-(4-bromophenoxy)hexanoate

C140H169BrO27 — CID 157321741

About 2-[(E)-2-[4-[(E)-2-[9,9-bis[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-bis[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluorene;tert-butyl 6-(4-bromophenoxy)hexanoate

2-[(E)-2-[4-[(E)-2-[9,9-bis[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-bis[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluorene;tert-butyl 6-(4-bromophenoxy)hexanoate (PubChem CID 157321741) has the molecular formula C140H169BrO27 and a molecular weight of 2363.77 g/mol. Its IUPAC name is 2-[(E)-2-[4-[(E)-2-[9,9-bis[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-bis[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluorene;tert-butyl 6-(4-bromophenoxy)hexanoate.

Molecular Properties

• Compound Name: 2-[(E)-2-[4-[(E)-2-[9,9-bis[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-bis[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluorene;tert-butyl 6-(4-bromophenoxy)hexanoate
• PubChem CID: 157321741
• Molecular Formula: C140H169BrO27
• Molecular Weight: 2363.77 g/mol
• Exact Mass: 2361.10
• IUPAC Name: 2-[(E)-2-[4-[(E)-2-[9,9-bis[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-bis[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluorene;tert-butyl 6-(4-bromophenoxy)hexanoate
• SMILES: C=Cc1ccc(/C=C/c2ccc3c(c2)C(Cc2cc(OCCOCCOC)cc(OCCOCCOC)c2)(Cc2cc(OCCOCCOC)cc(OCCOCCOC)c2)c2cc(/C=C/c4ccc(/C=C/c5ccc6c(c5)C(Cc5cc(OCCOCCOC)cc(OCCOCCOC)c5)(Cc5cc(OCCOCCOC)cc(OCCOCCOC)c5)c5cc(/C=C/c7ccc(C=C)cc7)ccc5-6)cc4)ccc2-3)cc1.CC(C)(C)OC(=O)CCCCCOc1ccc(Br)cc1
• InChI: InChI=1S/C124H146O24.C16H23BrO3/c1-11-93-13-17-95(18-14-93)25-29-99-33-37-115-117-39-35-101(83-121(117)123(119(115)81-99,89-103-73-107(141-65-57-133-49-41-125-3)85-108(74-103)142-66-58-134-50-42-126-4)90-104-75-109(143-67-59-135-51-43-127-5)86-110(76-104)144-68-60-136-52-44-128-6)31-27-97-21-23-98(24-22-97)28-32-102-36-40-118-116-38-34-100(30-26-96-19-15-94(12-2)16-20-96)82-120(116)124(122(118)84-102,91-105-77-111(145-69-61-137-53-45-129-7)87-112(78-105)146-70-62-138-54-46-130-8)92-106-79-113(147-71-63-139-55-47-131-9)88-114(80-106)148-72-64-140-56-48-132-10;1-16(2,3)20-15(18)7-5-4-6-12-19-14-10-8-13(17)9-11-14/h11-40,73-88H,1-2,41-72,89-92H2,3-10H3;8-11H,4-7,12H2,1-3H3/b29-25+,30-26+,31-27+,32-28+
• InChIKey: BEGACRHDBDDHTB-VVVZOHSTSA-N
• XLogP: 26.22
• TPSA: 257.05 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 81
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2363.77
LogP ≤ 5	26.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-[(E)-2-[9,9-bis[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-bis[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluorene;tert-butyl 6-(4-bromophenoxy)hexanoate?

The IUPAC name of 2-[(E)-2-[4-[(E)-2-[9,9-bis[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-bis[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluorene;tert-butyl 6-(4-bromophenoxy)hexanoate (CID 157321741) is 2-[(E)-2-[4-[(E)-2-[9,9-bis[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-bis[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluorene;tert-butyl 6-(4-bromophenoxy)hexanoate.

What is the SMILES notation for 2-[(E)-2-[4-[(E)-2-[9,9-bis[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-bis[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluorene;tert-butyl 6-(4-bromophenoxy)hexanoate?

The canonical SMILES for 2-[(E)-2-[4-[(E)-2-[9,9-bis[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-bis[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluorene;tert-butyl 6-(4-bromophenoxy)hexanoate is C=Cc1ccc(/C=C/c2ccc3c(c2)C(Cc2cc(OCCOCCOC)cc(OCCOCCOC)c2)(Cc2cc(OCCOCCOC)cc(OCCOCCOC)c2)c2cc(/C=C/c4ccc(/C=C/c5ccc6c(c5)C(Cc5cc(OCCOCCOC)cc(OCCOCCOC)c5)(Cc5cc(OCCOCCOC)cc(OCCOCCOC)c5)c5cc(/C=C/c7ccc(C=C)cc7)ccc5-6)cc4)ccc2-3)cc1.CC(C)(C)OC(=O)CCCCCOc1ccc(Br)cc1.

What is the InChIKey of 2-[(E)-2-[4-[(E)-2-[9,9-bis[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-bis[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluorene;tert-butyl 6-(4-bromophenoxy)hexanoate?

The InChIKey is BEGACRHDBDDHTB-VVVZOHSTSA-N. The full InChI is InChI=1S/C124H146O24.C16H23BrO3/c1-11-93-13-17-95(18-14-93)25-29-99-33-37-115-117-39-35-101(83-121(117)123(119(115)81-99,89-103-73-107(141-65-57-133-49-41-125-3)85-108(74-103)142-66-58-134-50-42-126-4)90-104-75-109(143-67-59-135-51-43-127-5)86-110(76-104)144-68-60-136-52-44-128-6)31-27-97-21-23-98(24-22-97)28-32-102-36-40-118-116-38-34-100(30-26-96-19-15-94(12-2)16-20-96)82-120(116)124(122(118)84-102,91-105-77-111(145-69-61-137-53-45-129-7)87-112(78-105)146-70-62-138-54-46-130-8)92-106-79-113(147-71-63-139-55-47-131-9)88-114(80-106)148-72-64-140-56-48-132-10;1-16(2,3)20-15(18)7-5-4-6-12-19-14-10-8-13(17)9-11-14/h11-40,73-88H,1-2,41-72,89-92H2,3-10H3;8-11H,4-7,12H2,1-3H3/b29-25+,30-26+,31-27+,32-28+;.

What are the key properties of 2-[(E)-2-[4-[(E)-2-[9,9-bis[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-bis[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluorene;tert-butyl 6-(4-bromophenoxy)hexanoate?

2-[(E)-2-[4-[(E)-2-[9,9-bis[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-bis[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluorene;tert-butyl 6-(4-bromophenoxy)hexanoate has a molecular weight of 2363.77 g/mol, XLogP of 26.22, 81 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(E)-2-[4-[(E)-2-[9,9-bis[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-bis[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluorene;tert-butyl 6-(4-bromophenoxy)hexanoate is sourced from PubChem (CID 157321741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).