ethyl 5-(N-[4-[4-[N-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-[4-[N-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-[9-[3-ethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-9-methyl-7-phenylfluoren-2-yl]anilino]phenyl]anilino]phenyl]phenyl]-4-phenylanilino)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate

C125H135N3O22 — CID 140756067

IUPACethyl 5-(N-[4-[4-[N-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-[4-[N-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-[9-[3-ethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-9-methyl-7-phenylfluoren-2-yl]anilino]phenyl]anilino]phenyl]phenyl]-4-phenylanilino)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
SMILESCCOC(=O)c1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7ccc8c(c7)C(C)(c7ccc(OCCOCCOCCOC)c(CC)c7)c7cc(-c9ccccc9)ccc7-8)cc6)c6ccc(OCCOCCOCCOC)c(C(=O)OCC)c6)cc5)cc4)c4ccc(OCCOCCOCCOC)c(C(=O)OCC)c4)cc3)cc2)ccc1OCCOCCOCCOC
InChIInChI=1S/C125H135N3O22/c1-10-90-84-101(38-56-118(90)147-80-76-140-72-68-136-64-60-132-6)125(5)116-85-99(92-22-18-15-19-23-92)36-54-111(116)112-55-37-100(86-117(112)125)98-34-49-107(50-35-98)128(110-53-59-121(115(89-110)124(131)146-13-4)150-83-79-143-75-71-139-67-63-135-9)106-47-32-97(33-48-106)96-30-45-105(46-31-96)127(109-52-58-120(114(88-109)123(130)145-12-3)149-82-78-142-74-70-138-66-62-134-8)104-43-28-95(29-44-104)94-26-41-103(42-27-94)126(102-39-24-93(25-40-102)91-20-16-14-17-21-91)108-51-57-119(113(87-108)122(129)144-11-2)148-81-77-141-73-69-137-65-61-133-7/h14-59,84-89H,10-13,60-83H2,1-9H3
InChIKeyGRBMBARXMJCAPL-UHFFFAOYSA-N
MW2031.45 g/mol
LogP25.09
Rot. Bonds62

About ethyl 5-(N-[4-[4-[N-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-[4-[N-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-[9-[3-ethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-9-methyl-7-phenylfluoren-2-yl]anilino]phenyl]anilino]phenyl]phenyl]-4-phenylanilino)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate

ethyl 5-(N-[4-[4-[N-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-[4-[N-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-[9-[3-ethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-9-methyl-7-phenylfluoren-2-yl]anilino]phenyl]anilino]phenyl]phenyl]-4-phenylanilino)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate (PubChem CID 140756067) has the molecular formula C125H135N3O22 and a molecular weight of 2031.45 g/mol. Its IUPAC name is ethyl 5-(N-[4-[4-[N-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-[4-[N-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-[9-[3-ethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-9-methyl-7-phenylfluoren-2-yl]anilino]phenyl]anilino]phenyl]phenyl]-4-phenylanilino)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate.

Molecular Properties

Compound Nameethyl 5-(N-[4-[4-[N-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-[4-[N-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-[9-[3-ethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-9-methyl-7-phenylfluoren-2-yl]anilino]phenyl]anilino]phenyl]phenyl]-4-phenylanilino)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
PubChem CID140756067
Molecular FormulaC125H135N3O22
Molecular Weight2031.45 g/mol
Exact Mass2029.95
IUPAC Nameethyl 5-(N-[4-[4-[N-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-[4-[N-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-[9-[3-ethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-9-methyl-7-phenylfluoren-2-yl]anilino]phenyl]anilino]phenyl]phenyl]-4-phenylanilino)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
SMILESCCOC(=O)c1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7ccc8c(c7)C(C)(c7ccc(OCCOCCOCCOC)c(CC)c7)c7cc(-c9ccccc9)ccc7-8)cc6)c6ccc(OCCOCCOCCOC)c(C(=O)OCC)c6)cc5)cc4)c4ccc(OCCOCCOCCOC)c(C(=O)OCC)c4)cc3)cc2)ccc1OCCOCCOCCOC
InChIInChI=1S/C125H135N3O22/c1-10-90-84-101(38-56-118(90)147-80-76-140-72-68-136-64-60-132-6)125(5)116-85-99(92-22-18-15-19-23-92)36-54-111(116)112-55-37-100(86-117(112)125)98-34-49-107(50-35-98)128(110-53-59-121(115(89-110)124(131)146-13-4)150-83-79-143-75-71-139-67-63-135-9)106-47-32-97(33-48-106)96-30-45-105(46-31-96)127(109-52-58-120(114(88-109)123(130)145-12-3)149-82-78-142-74-70-138-66-62-134-8)104-43-28-95(29-44-104)94-26-41-103(42-27-94)126(102-39-24-93(25-40-102)91-20-16-14-17-21-91)108-51-57-119(113(87-108)122(129)144-11-2)148-81-77-141-73-69-137-65-61-133-7/h14-59,84-89H,10-13,60-83H2,1-9H3
InChIKeyGRBMBARXMJCAPL-UHFFFAOYSA-N
XLogP25.09
TPSA236.30 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds62
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002031.45
LogP ≤ 525.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 5-(N-[4-[4-[N-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-[4-[N-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-[9-[3-ethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-9-methyl-7-phenylfluoren-2-yl]anilino]phenyl]anilino]phenyl]phenyl]-4-phenylanilino)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate with MolForge

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Related Compounds

ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-(4-phenyl-N-(4-phenylphenyl)anilino)benzoate
CID 90352041
ethyl 5-[2-[9-(3,5-dihexylphenyl)-7-[9-[3-ethoxycarbonyl-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-2-yl]-9-methylfluoren-2-yl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate
CID 164738649
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-(4-methyl-N-(4-methylphenyl)anilino)benzoic acid
CID 90352014
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
ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 10448213
2-[2-[2-[[4-[9-[3-(dimethylamino)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-2-methyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-9-yl]-2-methylphenyl]methoxy]ethoxy]ethoxy]ethanol
CID 88597738
ethyl 5-[9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-2,7-dimethylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate
CID 58078177
potassium;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]fluoren-2-yl]-9-(3,5-dihexylphenyl)-9-methylfluoren-2-yl]-9-(3-carboxy-4-methoxyphenyl)fluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoic acid;ethyl 5-[2-[9-(3,5-dihexylphenyl)-7-[9-[3-ethoxycarbonyl-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-2-yl]-9-methylfluoren-2-yl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]fluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate;formaldehyde;propane;hydroxide;hydrate;hydrochloride
CID 164979356
ethyl 5-[2-[7-[9-[3-ethoxycarbonyl-4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-2-yl]-9-heptadecan-9-ylcarbazol-2-yl]-9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-3-methyl-7-phenylfluoren-9-yl]-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]benzoate
CID 164738625
ethyl 5-[9-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-2,7-di(propan-2-yl)fluoren-9-yl]-2-[2-[2-(2-methylperoxyethoxy)ethoxy]ethyl]benzoate
CID 166764828
ethyl 5-[9-(3-acetyl-4-methylphenyl)-2-[9-[3,4-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]phenyl]-9-[3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-7-methylfluoren-2-yl]-7-methylfluoren-9-yl]-2-hexoxybenzoate;formaldehyde
CID 123913387
ethyl 3-oxo-1-phenyl-5-[4-(N-phenylanilino)phenyl]indene-2-carboxylate
CID 139201220

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(N-[4-[4-[N-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-[4-[N-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-[9-[3-ethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-9-methyl-7-phenylfluoren-2-yl]anilino]phenyl]anilino]phenyl]phenyl]-4-phenylanilino)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate?
The IUPAC name of ethyl 5-(N-[4-[4-[N-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-[4-[N-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-[9-[3-ethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-9-methyl-7-phenylfluoren-2-yl]anilino]phenyl]anilino]phenyl]phenyl]-4-phenylanilino)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate (CID 140756067) is ethyl 5-(N-[4-[4-[N-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-[4-[N-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-[9-[3-ethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-9-methyl-7-phenylfluoren-2-yl]anilino]phenyl]anilino]phenyl]phenyl]-4-phenylanilino)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate.
What is the SMILES notation for ethyl 5-(N-[4-[4-[N-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-[4-[N-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-[9-[3-ethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-9-methyl-7-phenylfluoren-2-yl]anilino]phenyl]anilino]phenyl]phenyl]-4-phenylanilino)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate?
The canonical SMILES for ethyl 5-(N-[4-[4-[N-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-[4-[N-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-[9-[3-ethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-9-methyl-7-phenylfluoren-2-yl]anilino]phenyl]anilino]phenyl]phenyl]-4-phenylanilino)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate is CCOC(=O)c1cc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7ccc8c(c7)C(C)(c7ccc(OCCOCCOCCOC)c(CC)c7)c7cc(-c9ccccc9)ccc7-8)cc6)c6ccc(OCCOCCOCCOC)c(C(=O)OCC)c6)cc5)cc4)c4ccc(OCCOCCOCCOC)c(C(=O)OCC)c4)cc3)cc2)ccc1OCCOCCOCCOC.
What is the InChIKey of ethyl 5-(N-[4-[4-[N-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-[4-[N-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-[9-[3-ethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-9-methyl-7-phenylfluoren-2-yl]anilino]phenyl]anilino]phenyl]phenyl]-4-phenylanilino)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate?
The InChIKey is GRBMBARXMJCAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C125H135N3O22/c1-10-90-84-101(38-56-118(90)147-80-76-140-72-68-136-64-60-132-6)125(5)116-85-99(92-22-18-15-19-23-92)36-54-111(116)112-55-37-100(86-117(112)125)98-34-49-107(50-35-98)128(110-53-59-121(115(89-110)124(131)146-13-4)150-83-79-143-75-71-139-67-63-135-9)106-47-32-97(33-48-106)96-30-45-105(46-31-96)127(109-52-58-120(114(88-109)123(130)145-12-3)149-82-78-142-74-70-138-66-62-134-8)104-43-28-95(29-44-104)94-26-41-103(42-27-94)126(102-39-24-93(25-40-102)91-20-16-14-17-21-91)108-51-57-119(113(87-108)122(129)144-11-2)148-81-77-141-73-69-137-65-61-133-7/h14-59,84-89H,10-13,60-83H2,1-9H3.
What are the key properties of ethyl 5-(N-[4-[4-[N-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-[4-[N-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-[9-[3-ethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-9-methyl-7-phenylfluoren-2-yl]anilino]phenyl]anilino]phenyl]phenyl]-4-phenylanilino)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate?
ethyl 5-(N-[4-[4-[N-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-[4-[N-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-[9-[3-ethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-9-methyl-7-phenylfluoren-2-yl]anilino]phenyl]anilino]phenyl]phenyl]-4-phenylanilino)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate has a molecular weight of 2031.45 g/mol, XLogP of 25.09, 62 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(N-[4-[4-[N-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-[4-[N-[3-ethoxycarbonyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-[9-[3-ethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-9-methyl-7-phenylfluoren-2-yl]anilino]phenyl]anilino]phenyl]phenyl]-4-phenylanilino)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate is sourced from PubChem (CID 140756067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).