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

C126H154O24 — CID 162256142

IUPAC2-[(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
SMILESC.C.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
InChIInChI=1S/C124H146O24.2CH4/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;;/h11-40,73-88H,1-2,41-72,89-92H2,3-10H3;2*1H4/b29-25+,30-26+,31-27+,32-28+;;
InChIKeyZYPUHLPWINXCIF-OAYYWDAOSA-N
MW2052.59 g/mol
LogP22.76
Rot. Bonds74

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;methane

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 (PubChem CID 162256142) has the molecular formula C126H154O24 and a molecular weight of 2052.59 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;methane.

Molecular Properties

Compound Name2-[(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
PubChem CID162256142
Molecular FormulaC126H154O24
Molecular Weight2052.59 g/mol
Exact Mass2051.08
IUPAC Name2-[(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
SMILESC.C.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
InChIInChI=1S/C124H146O24.2CH4/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;;/h11-40,73-88H,1-2,41-72,89-92H2,3-10H3;2*1H4/b29-25+,30-26+,31-27+,32-28+;;
InChIKeyZYPUHLPWINXCIF-OAYYWDAOSA-N
XLogP22.76
TPSA221.52 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds74
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002052.59
LogP ≤ 522.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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;methane?
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;methane (CID 162256142) 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;methane.
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;methane?
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;methane is C.C.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.
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;methane?
The InChIKey is ZYPUHLPWINXCIF-OAYYWDAOSA-N. The full InChI is InChI=1S/C124H146O24.2CH4/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;;/h11-40,73-88H,1-2,41-72,89-92H2,3-10H3;2*1H4/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;methane?
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 has a molecular weight of 2052.59 g/mol, XLogP of 22.76, 74 rotatable bonds, 0 hydrogen bond donors, and 24 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;methane is sourced from PubChem (CID 162256142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).