2-[9,9-bis[[3-[2-(2-methoxyethoxy)ethoxy]-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C95H156B2O34 — CID 164938331

IUPAC2-[9,9-bis[[3-[2-(2-methoxyethoxy)ethoxy]-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1cc(CC2(Cc3cc(OCCOCCOC)cc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c3)c3cc(B4OC(C)(C)C(C)(C)O4)ccc3-c3ccc(B4OC(C)(C)C(C)(C)O4)cc32)cc(OCCOCCOC)c1
InChIInChI=1S/C95H156B2O34/c1-91(2)92(3,4)129-96(128-91)81-13-15-87-88-16-14-82(97-130-93(5,6)94(7,8)131-97)74-90(88)95(89(87)73-81,77-79-69-83(124-65-61-104-23-19-100-11)75-85(71-79)126-67-63-122-59-57-120-55-53-118-51-49-116-47-45-114-43-41-112-39-37-110-35-33-108-31-29-106-27-25-102-21-17-98-9)78-80-70-84(125-66-62-105-24-20-101-12)76-86(72-80)127-68-64-123-60-58-121-56-54-119-52-50-117-48-46-115-44-42-113-40-38-111-36-34-109-32-30-107-28-26-103-22-18-99-10/h13-16,69-76H,17-68,77-78H2,1-12H3
InChIKeySVNAVDBWXHYYJE-UHFFFAOYSA-N
MW1863.88 g/mol
LogP7.50
Rot. Bonds88

About 2-[9,9-bis[[3-[2-(2-methoxyethoxy)ethoxy]-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[9,9-bis[[3-[2-(2-methoxyethoxy)ethoxy]-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 164938331) has the molecular formula C95H156B2O34 and a molecular weight of 1863.88 g/mol. Its IUPAC name is 2-[9,9-bis[[3-[2-(2-methoxyethoxy)ethoxy]-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[9,9-bis[[3-[2-(2-methoxyethoxy)ethoxy]-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID164938331
Molecular FormulaC95H156B2O34
Molecular Weight1863.88 g/mol
Exact Mass1863.07
IUPAC Name2-[9,9-bis[[3-[2-(2-methoxyethoxy)ethoxy]-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1cc(CC2(Cc3cc(OCCOCCOC)cc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c3)c3cc(B4OC(C)(C)C(C)(C)O4)ccc3-c3ccc(B4OC(C)(C)C(C)(C)O4)cc32)cc(OCCOCCOC)c1
InChIInChI=1S/C95H156B2O34/c1-91(2)92(3,4)129-96(128-91)81-13-15-87-88-16-14-82(97-130-93(5,6)94(7,8)131-97)74-90(88)95(89(87)73-81,77-79-69-83(124-65-61-104-23-19-100-11)75-85(71-79)126-67-63-122-59-57-120-55-53-118-51-49-116-47-45-114-43-41-112-39-37-110-35-33-108-31-29-106-27-25-102-21-17-98-9)78-80-70-84(125-66-62-105-24-20-101-12)76-86(72-80)127-68-64-123-60-58-121-56-54-119-52-50-117-48-46-115-44-42-113-40-38-111-36-34-109-32-30-107-28-26-103-22-18-99-10/h13-16,69-76H,17-68,77-78H2,1-12H3
InChIKeySVNAVDBWXHYYJE-UHFFFAOYSA-N
XLogP7.50
TPSA313.82 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds88
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001863.88
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 2-[9,9-bis[[3-[2-(2-methoxyethoxy)ethoxy]-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

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Related Compounds

2-[9,9-bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102153044
9-[[3,5-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-9-[[3-[2-(2-methoxyethoxy)ethoxy]-5-[2-(2-methoxyethoxymethoxymethoxymethoxymethoxymethoxymethoxymethoxymethoxymethoxy)ethoxy]phenyl]methyl]-2,7-dimethylfluorene;ethane
CID 123191720
4-[4-[2,5-difluoro-4-[9-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]-9-[3-(2-methoxyethoxy)propyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]phenyl]phenoxy]butan-1-amine
CID 123141321
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;methane
CID 162256142
ethane;2-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 142513343
tert-butyl N-[4-[4-[4-[2-[[3,5-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-4-[4-[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]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]phenyl]-5-[[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-3,6-dioxopyrrolo[3,4-c]pyrrol-1-yl]phenyl]phenoxy]butyl]carbamate
CID 58473610
2-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 66652582
9-[[3,5-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-2-[(E)-2-[4-[(E)-2-[9-[[3,5-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-9-[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-bromofluoren-2-yl]ethenyl]phenyl]ethenyl]-9-[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluorene
CID 140699156
2-[9,9-diethyl-7-(4-methoxyphenyl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 139257864
2-[4-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 113249640
[6-[4-[4-[4-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-2,5-difluorophenyl]phenoxy]butylamino]-6-oxohexyl]azaniumylideneazanide
CID 169012641
4,4,5,5-tetramethyl-2-[7'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]-1,3,2-dioxaborolane
CID 58793126

Frequently Asked Questions

What is the IUPAC name of 2-[9,9-bis[[3-[2-(2-methoxyethoxy)ethoxy]-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[9,9-bis[[3-[2-(2-methoxyethoxy)ethoxy]-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 164938331) is 2-[9,9-bis[[3-[2-(2-methoxyethoxy)ethoxy]-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[9,9-bis[[3-[2-(2-methoxyethoxy)ethoxy]-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[9,9-bis[[3-[2-(2-methoxyethoxy)ethoxy]-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1cc(CC2(Cc3cc(OCCOCCOC)cc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c3)c3cc(B4OC(C)(C)C(C)(C)O4)ccc3-c3ccc(B4OC(C)(C)C(C)(C)O4)cc32)cc(OCCOCCOC)c1.
What is the InChIKey of 2-[9,9-bis[[3-[2-(2-methoxyethoxy)ethoxy]-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is SVNAVDBWXHYYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C95H156B2O34/c1-91(2)92(3,4)129-96(128-91)81-13-15-87-88-16-14-82(97-130-93(5,6)94(7,8)131-97)74-90(88)95(89(87)73-81,77-79-69-83(124-65-61-104-23-19-100-11)75-85(71-79)126-67-63-122-59-57-120-55-53-118-51-49-116-47-45-114-43-41-112-39-37-110-35-33-108-31-29-106-27-25-102-21-17-98-9)78-80-70-84(125-66-62-105-24-20-101-12)76-86(72-80)127-68-64-123-60-58-121-56-54-119-52-50-117-48-46-115-44-42-113-40-38-111-36-34-109-32-30-107-28-26-103-22-18-99-10/h13-16,69-76H,17-68,77-78H2,1-12H3.
What are the key properties of 2-[9,9-bis[[3-[2-(2-methoxyethoxy)ethoxy]-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[9,9-bis[[3-[2-(2-methoxyethoxy)ethoxy]-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 1863.88 g/mol, XLogP of 7.50, 88 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9,9-bis[[3-[2-(2-methoxyethoxy)ethoxy]-5-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 164938331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).