butyl 3-[3-(3-butoxycarbonylphenoxy)-2-[[2-[3-(3-butoxycarbonylphenoxy)-2,2-bis[(3-butoxycarbonylphenoxy)methyl]propyl]-4,8-bis[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-6-yl]methyl]-2-[(3-butoxycarbonylphenoxy)methyl]propoxy]benzoate;2-methylpropyl 3-[3-[3-(2-methylpropoxycarbonyl)phenoxy]-2-[[2-[3-[3-(2-methylpropoxycarbonyl)phenoxy]-2,2-bis[[3-(2-methylpropoxycarbonyl)phenoxy]methyl]propyl]-4,8-bis[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-6-yl]methyl]-2-[[3-(2-methylpropoxycarbonyl)phenoxy]methyl]propoxy]benzoate

C236H244N16O36 — CID 161179437

IUPACbutyl 3-[3-(3-butoxycarbonylphenoxy)-2-[[2-[3-(3-butoxycarbonylphenoxy)-2,2-bis[(3-butoxycarbonylphenoxy)methyl]propyl]-4,8-bis[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-6-yl]methyl]-2-[(3-butoxycarbonylphenoxy)methyl]propoxy]benzoate;2-methylpropyl 3-[3-[3-(2-methylpropoxycarbonyl)phenoxy]-2-[[2-[3-[3-(2-methylpropoxycarbonyl)phenoxy]-2,2-bis[[3-(2-methylpropoxycarbonyl)phenoxy]methyl]propyl]-4,8-bis[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-6-yl]methyl]-2-[[3-(2-methylpropoxycarbonyl)phenoxy]methyl]propoxy]benzoate
SMILESCC(C)COC(=O)c1cccc(OCC(COc2cccc(C(=O)OCC(C)C)c2)(COc2cccc(C(=O)OCC(C)C)c2)Cn2nc3c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4n[n+](CC(COc5cccc(C(=O)OCC(C)C)c5)(COc5cccc(C(=O)OCC(C)C)c5)COc5cccc(C(=O)OCC(C)C)c5)[n-]c4c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3n2)c1.CCCCOC(=O)c1cccc(OCC(COc2cccc(C(=O)OCCCC)c2)(COc2cccc(C(=O)OCCCC)c2)Cn2nc3c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4n[n+](CC(COc5cccc(C(=O)OCCCC)c5)(COc5cccc(C(=O)OCCCC)c5)COc5cccc(C(=O)OCCCC)c5)[n-]c4c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3n2)c1
InChIInChI=1S/2C118H122N8O18/c1-79(2)65-133-111(127)87-31-25-45-99(59-87)139-73-117(74-140-100-46-26-32-88(60-100)112(128)134-66-80(3)4,75-141-101-47-27-33-89(61-101)113(129)135-67-81(5)6)71-123-119-107-105(85-51-55-97(56-52-85)125(93-37-17-13-18-38-93)94-39-19-14-20-40-94)109-110(106(108(107)120-123)86-53-57-98(58-54-86)126(95-41-21-15-22-42-95)96-43-23-16-24-44-96)122-124(121-109)72-118(76-142-102-48-28-34-90(62-102)114(130)136-68-82(7)8,77-143-103-49-29-35-91(63-103)115(131)137-69-83(9)10)78-144-104-50-30-36-92(64-104)116(132)138-70-84(11)12;1-7-13-65-133-111(127)87-37-31-51-99(71-87)139-79-117(80-140-100-52-32-38-88(72-100)112(128)134-66-14-8-2,81-141-101-53-33-39-89(73-101)113(129)135-67-15-9-3)77-123-119-107-105(85-57-61-97(62-58-85)125(93-43-23-19-24-44-93)94-45-25-20-26-46-94)109-110(106(108(107)120-123)86-59-63-98(64-60-86)126(95-47-27-21-28-48-95)96-49-29-22-30-50-96)122-124(121-109)78-118(82-142-102-54-34-40-90(74-102)114(130)136-68-16-10-4,83-143-103-55-35-41-91(75-103)115(131)137-69-17-11-5)84-144-104-56-36-42-92(76-104)116(132)138-70-18-12-6/h13-64,79-84H,65-78H2,1-12H3;19-64,71-76H,7-18,65-70,77-84H2,1-6H3
InChIKeyFPRMFLNTPGZNGH-UHFFFAOYSA-N
MW3880.62 g/mol
LogP48.51
Rot. Bonds102

About butyl 3-[3-(3-butoxycarbonylphenoxy)-2-[[2-[3-(3-butoxycarbonylphenoxy)-2,2-bis[(3-butoxycarbonylphenoxy)methyl]propyl]-4,8-bis[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-6-yl]methyl]-2-[(3-butoxycarbonylphenoxy)methyl]propoxy]benzoate;2-methylpropyl 3-[3-[3-(2-methylpropoxycarbonyl)phenoxy]-2-[[2-[3-[3-(2-methylpropoxycarbonyl)phenoxy]-2,2-bis[[3-(2-methylpropoxycarbonyl)phenoxy]methyl]propyl]-4,8-bis[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-6-yl]methyl]-2-[[3-(2-methylpropoxycarbonyl)phenoxy]methyl]propoxy]benzoate

butyl 3-[3-(3-butoxycarbonylphenoxy)-2-[[2-[3-(3-butoxycarbonylphenoxy)-2,2-bis[(3-butoxycarbonylphenoxy)methyl]propyl]-4,8-bis[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-6-yl]methyl]-2-[(3-butoxycarbonylphenoxy)methyl]propoxy]benzoate;2-methylpropyl 3-[3-[3-(2-methylpropoxycarbonyl)phenoxy]-2-[[2-[3-[3-(2-methylpropoxycarbonyl)phenoxy]-2,2-bis[[3-(2-methylpropoxycarbonyl)phenoxy]methyl]propyl]-4,8-bis[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-6-yl]methyl]-2-[[3-(2-methylpropoxycarbonyl)phenoxy]methyl]propoxy]benzoate (PubChem CID 161179437) has the molecular formula C236H244N16O36 and a molecular weight of 3880.62 g/mol. Its IUPAC name is butyl 3-[3-(3-butoxycarbonylphenoxy)-2-[[2-[3-(3-butoxycarbonylphenoxy)-2,2-bis[(3-butoxycarbonylphenoxy)methyl]propyl]-4,8-bis[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-6-yl]methyl]-2-[(3-butoxycarbonylphenoxy)methyl]propoxy]benzoate;2-methylpropyl 3-[3-[3-(2-methylpropoxycarbonyl)phenoxy]-2-[[2-[3-[3-(2-methylpropoxycarbonyl)phenoxy]-2,2-bis[[3-(2-methylpropoxycarbonyl)phenoxy]methyl]propyl]-4,8-bis[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-6-yl]methyl]-2-[[3-(2-methylpropoxycarbonyl)phenoxy]methyl]propoxy]benzoate.

Molecular Properties

Compound Namebutyl 3-[3-(3-butoxycarbonylphenoxy)-2-[[2-[3-(3-butoxycarbonylphenoxy)-2,2-bis[(3-butoxycarbonylphenoxy)methyl]propyl]-4,8-bis[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-6-yl]methyl]-2-[(3-butoxycarbonylphenoxy)methyl]propoxy]benzoate;2-methylpropyl 3-[3-[3-(2-methylpropoxycarbonyl)phenoxy]-2-[[2-[3-[3-(2-methylpropoxycarbonyl)phenoxy]-2,2-bis[[3-(2-methylpropoxycarbonyl)phenoxy]methyl]propyl]-4,8-bis[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-6-yl]methyl]-2-[[3-(2-methylpropoxycarbonyl)phenoxy]methyl]propoxy]benzoate
PubChem CID161179437
Molecular FormulaC236H244N16O36
Molecular Weight3880.62 g/mol
Exact Mass3877.78
IUPAC Namebutyl 3-[3-(3-butoxycarbonylphenoxy)-2-[[2-[3-(3-butoxycarbonylphenoxy)-2,2-bis[(3-butoxycarbonylphenoxy)methyl]propyl]-4,8-bis[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-6-yl]methyl]-2-[(3-butoxycarbonylphenoxy)methyl]propoxy]benzoate;2-methylpropyl 3-[3-[3-(2-methylpropoxycarbonyl)phenoxy]-2-[[2-[3-[3-(2-methylpropoxycarbonyl)phenoxy]-2,2-bis[[3-(2-methylpropoxycarbonyl)phenoxy]methyl]propyl]-4,8-bis[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-6-yl]methyl]-2-[[3-(2-methylpropoxycarbonyl)phenoxy]methyl]propoxy]benzoate
SMILESCC(C)COC(=O)c1cccc(OCC(COc2cccc(C(=O)OCC(C)C)c2)(COc2cccc(C(=O)OCC(C)C)c2)Cn2nc3c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4n[n+](CC(COc5cccc(C(=O)OCC(C)C)c5)(COc5cccc(C(=O)OCC(C)C)c5)COc5cccc(C(=O)OCC(C)C)c5)[n-]c4c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3n2)c1.CCCCOC(=O)c1cccc(OCC(COc2cccc(C(=O)OCCCC)c2)(COc2cccc(C(=O)OCCCC)c2)Cn2nc3c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4n[n+](CC(COc5cccc(C(=O)OCCCC)c5)(COc5cccc(C(=O)OCCCC)c5)COc5cccc(C(=O)OCCCC)c5)[n-]c4c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3n2)c1
InChIInChI=1S/2C118H122N8O18/c1-79(2)65-133-111(127)87-31-25-45-99(59-87)139-73-117(74-140-100-46-26-32-88(60-100)112(128)134-66-80(3)4,75-141-101-47-27-33-89(61-101)113(129)135-67-81(5)6)71-123-119-107-105(85-51-55-97(56-52-85)125(93-37-17-13-18-38-93)94-39-19-14-20-40-94)109-110(106(108(107)120-123)86-53-57-98(58-54-86)126(95-41-21-15-22-42-95)96-43-23-16-24-44-96)122-124(121-109)72-118(76-142-102-48-28-34-90(62-102)114(130)136-68-82(7)8,77-143-103-49-29-35-91(63-103)115(131)137-69-83(9)10)78-144-104-50-30-36-92(64-104)116(132)138-70-84(11)12;1-7-13-65-133-111(127)87-37-31-51-99(71-87)139-79-117(80-140-100-52-32-38-88(72-100)112(128)134-66-14-8-2,81-141-101-53-33-39-89(73-101)113(129)135-67-15-9-3)77-123-119-107-105(85-57-61-97(62-58-85)125(93-43-23-19-24-44-93)94-45-25-20-26-46-94)109-110(106(108(107)120-123)86-59-63-98(64-60-86)126(95-47-27-21-28-48-95)96-49-29-22-30-50-96)122-124(121-109)78-118(82-142-102-54-34-40-90(74-102)114(130)136-68-16-10-4,83-143-103-55-35-41-91(75-103)115(131)137-69-17-11-5)84-144-104-56-36-42-92(76-104)116(132)138-70-18-12-6/h13-64,79-84H,65-78H2,1-12H3;19-64,71-76H,7-18,65-70,77-84H2,1-6H3
InChIKeyFPRMFLNTPGZNGH-UHFFFAOYSA-N
XLogP48.51
TPSA562.48 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds102
Heavy Atoms288
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003880.62
LogP ≤ 548.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze butyl 3-[3-(3-butoxycarbonylphenoxy)-2-[[2-[3-(3-butoxycarbonylphenoxy)-2,2-bis[(3-butoxycarbonylphenoxy)methyl]propyl]-4,8-bis[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-6-yl]methyl]-2-[(3-butoxycarbonylphenoxy)methyl]propoxy]benzoate;2-methylpropyl 3-[3-[3-(2-methylpropoxycarbonyl)phenoxy]-2-[[2-[3-[3-(2-methylpropoxycarbonyl)phenoxy]-2,2-bis[[3-(2-methylpropoxycarbonyl)phenoxy]methyl]propyl]-4,8-bis[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-6-yl]methyl]-2-[[3-(2-methylpropoxycarbonyl)phenoxy]methyl]propoxy]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylpropyl 4-[2-[(4-fluorophenoxy)methyl]-2-[[2-[2-[(4-fluorophenoxy)methyl]-3-[4-(2-methylpropoxycarbonyl)phenoxy]-2-[[4-(2-methylpropoxycarbonyl)phenoxy]methyl]propyl]-4,8-bis[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-6-yl]methyl]-3-[4-(2-methylpropoxycarbonyl)phenoxy]propoxy]benzoate
CID 121472685
[6-amino-2-[3-(3-ethoxycarbonylphenoxy)-2,2-bis[(3-ethoxycarbonylphenoxy)methyl]propyl]-4,7-bis[4-(N-phenylanilino)phenyl]benzotriazol-5-yl]-[[3-(4-ethoxycarbonylphenoxy)-2,2-bis[(3-ethoxycarbonylphenoxy)methyl]propyl]amino]azanide
CID 135158090
dipotassium;4-[6-(2-butoxyethyl)-2-(2-methylpropyl)-8-[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-4-yl]-N,N-diphenylaniline;hydride;oxido formate;1-propoxybutane
CID 161319689
[(2S)-2-(dimethylamino)-3-phenylpropyl] 3-butoxybenzoate
CID 71130214
2-methylpropyl 3-(4-pentoxybenzoyl)oxybenzoate
CID 17171202
3-(3-butoxycarbonyl-N-propan-2-ylanilino)propanoic acid
CID 95530859
[3-(2-phenoxyethoxycarbonyl)phenyl] 3-(2-methylpropoxy)benzoate
CID 17161912
[4-(2-phenoxyethoxycarbonyl)phenyl] 3-(2-methylpropoxy)benzoate
CID 17151563
(111C)butyl benzoate
CID 11994383
butyl 4-(2-methylpropoxy)benzoate
CID 82186422
3-(4-oxoquinazolin-3-yl)propyl 3-butoxybenzoate
CID 30338475
2-(4-heptoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium
CID 158719684

Frequently Asked Questions

What is the IUPAC name of butyl 3-[3-(3-butoxycarbonylphenoxy)-2-[[2-[3-(3-butoxycarbonylphenoxy)-2,2-bis[(3-butoxycarbonylphenoxy)methyl]propyl]-4,8-bis[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-6-yl]methyl]-2-[(3-butoxycarbonylphenoxy)methyl]propoxy]benzoate;2-methylpropyl 3-[3-[3-(2-methylpropoxycarbonyl)phenoxy]-2-[[2-[3-[3-(2-methylpropoxycarbonyl)phenoxy]-2,2-bis[[3-(2-methylpropoxycarbonyl)phenoxy]methyl]propyl]-4,8-bis[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-6-yl]methyl]-2-[[3-(2-methylpropoxycarbonyl)phenoxy]methyl]propoxy]benzoate?
The IUPAC name of butyl 3-[3-(3-butoxycarbonylphenoxy)-2-[[2-[3-(3-butoxycarbonylphenoxy)-2,2-bis[(3-butoxycarbonylphenoxy)methyl]propyl]-4,8-bis[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-6-yl]methyl]-2-[(3-butoxycarbonylphenoxy)methyl]propoxy]benzoate;2-methylpropyl 3-[3-[3-(2-methylpropoxycarbonyl)phenoxy]-2-[[2-[3-[3-(2-methylpropoxycarbonyl)phenoxy]-2,2-bis[[3-(2-methylpropoxycarbonyl)phenoxy]methyl]propyl]-4,8-bis[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-6-yl]methyl]-2-[[3-(2-methylpropoxycarbonyl)phenoxy]methyl]propoxy]benzoate (CID 161179437) is butyl 3-[3-(3-butoxycarbonylphenoxy)-2-[[2-[3-(3-butoxycarbonylphenoxy)-2,2-bis[(3-butoxycarbonylphenoxy)methyl]propyl]-4,8-bis[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-6-yl]methyl]-2-[(3-butoxycarbonylphenoxy)methyl]propoxy]benzoate;2-methylpropyl 3-[3-[3-(2-methylpropoxycarbonyl)phenoxy]-2-[[2-[3-[3-(2-methylpropoxycarbonyl)phenoxy]-2,2-bis[[3-(2-methylpropoxycarbonyl)phenoxy]methyl]propyl]-4,8-bis[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-6-yl]methyl]-2-[[3-(2-methylpropoxycarbonyl)phenoxy]methyl]propoxy]benzoate.
What is the SMILES notation for butyl 3-[3-(3-butoxycarbonylphenoxy)-2-[[2-[3-(3-butoxycarbonylphenoxy)-2,2-bis[(3-butoxycarbonylphenoxy)methyl]propyl]-4,8-bis[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-6-yl]methyl]-2-[(3-butoxycarbonylphenoxy)methyl]propoxy]benzoate;2-methylpropyl 3-[3-[3-(2-methylpropoxycarbonyl)phenoxy]-2-[[2-[3-[3-(2-methylpropoxycarbonyl)phenoxy]-2,2-bis[[3-(2-methylpropoxycarbonyl)phenoxy]methyl]propyl]-4,8-bis[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-6-yl]methyl]-2-[[3-(2-methylpropoxycarbonyl)phenoxy]methyl]propoxy]benzoate?
The canonical SMILES for butyl 3-[3-(3-butoxycarbonylphenoxy)-2-[[2-[3-(3-butoxycarbonylphenoxy)-2,2-bis[(3-butoxycarbonylphenoxy)methyl]propyl]-4,8-bis[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-6-yl]methyl]-2-[(3-butoxycarbonylphenoxy)methyl]propoxy]benzoate;2-methylpropyl 3-[3-[3-(2-methylpropoxycarbonyl)phenoxy]-2-[[2-[3-[3-(2-methylpropoxycarbonyl)phenoxy]-2,2-bis[[3-(2-methylpropoxycarbonyl)phenoxy]methyl]propyl]-4,8-bis[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-6-yl]methyl]-2-[[3-(2-methylpropoxycarbonyl)phenoxy]methyl]propoxy]benzoate is CC(C)COC(=O)c1cccc(OCC(COc2cccc(C(=O)OCC(C)C)c2)(COc2cccc(C(=O)OCC(C)C)c2)Cn2nc3c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4n[n+](CC(COc5cccc(C(=O)OCC(C)C)c5)(COc5cccc(C(=O)OCC(C)C)c5)COc5cccc(C(=O)OCC(C)C)c5)[n-]c4c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3n2)c1.CCCCOC(=O)c1cccc(OCC(COc2cccc(C(=O)OCCCC)c2)(COc2cccc(C(=O)OCCCC)c2)Cn2nc3c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4n[n+](CC(COc5cccc(C(=O)OCCCC)c5)(COc5cccc(C(=O)OCCCC)c5)COc5cccc(C(=O)OCCCC)c5)[n-]c4c(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3n2)c1.
What is the InChIKey of butyl 3-[3-(3-butoxycarbonylphenoxy)-2-[[2-[3-(3-butoxycarbonylphenoxy)-2,2-bis[(3-butoxycarbonylphenoxy)methyl]propyl]-4,8-bis[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-6-yl]methyl]-2-[(3-butoxycarbonylphenoxy)methyl]propoxy]benzoate;2-methylpropyl 3-[3-[3-(2-methylpropoxycarbonyl)phenoxy]-2-[[2-[3-[3-(2-methylpropoxycarbonyl)phenoxy]-2,2-bis[[3-(2-methylpropoxycarbonyl)phenoxy]methyl]propyl]-4,8-bis[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-6-yl]methyl]-2-[[3-(2-methylpropoxycarbonyl)phenoxy]methyl]propoxy]benzoate?
The InChIKey is FPRMFLNTPGZNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C118H122N8O18/c1-79(2)65-133-111(127)87-31-25-45-99(59-87)139-73-117(74-140-100-46-26-32-88(60-100)112(128)134-66-80(3)4,75-141-101-47-27-33-89(61-101)113(129)135-67-81(5)6)71-123-119-107-105(85-51-55-97(56-52-85)125(93-37-17-13-18-38-93)94-39-19-14-20-40-94)109-110(106(108(107)120-123)86-53-57-98(58-54-86)126(95-41-21-15-22-42-95)96-43-23-16-24-44-96)122-124(121-109)72-118(76-142-102-48-28-34-90(62-102)114(130)136-68-82(7)8,77-143-103-49-29-35-91(63-103)115(131)137-69-83(9)10)78-144-104-50-30-36-92(64-104)116(132)138-70-84(11)12;1-7-13-65-133-111(127)87-37-31-51-99(71-87)139-79-117(80-140-100-52-32-38-88(72-100)112(128)134-66-14-8-2,81-141-101-53-33-39-89(73-101)113(129)135-67-15-9-3)77-123-119-107-105(85-57-61-97(62-58-85)125(93-43-23-19-24-44-93)94-45-25-20-26-46-94)109-110(106(108(107)120-123)86-59-63-98(64-60-86)126(95-47-27-21-28-48-95)96-49-29-22-30-50-96)122-124(121-109)78-118(82-142-102-54-34-40-90(74-102)114(130)136-68-16-10-4,83-143-103-55-35-41-91(75-103)115(131)137-69-17-11-5)84-144-104-56-36-42-92(76-104)116(132)138-70-18-12-6/h13-64,79-84H,65-78H2,1-12H3;19-64,71-76H,7-18,65-70,77-84H2,1-6H3.
What are the key properties of butyl 3-[3-(3-butoxycarbonylphenoxy)-2-[[2-[3-(3-butoxycarbonylphenoxy)-2,2-bis[(3-butoxycarbonylphenoxy)methyl]propyl]-4,8-bis[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-6-yl]methyl]-2-[(3-butoxycarbonylphenoxy)methyl]propoxy]benzoate;2-methylpropyl 3-[3-[3-(2-methylpropoxycarbonyl)phenoxy]-2-[[2-[3-[3-(2-methylpropoxycarbonyl)phenoxy]-2,2-bis[[3-(2-methylpropoxycarbonyl)phenoxy]methyl]propyl]-4,8-bis[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-6-yl]methyl]-2-[[3-(2-methylpropoxycarbonyl)phenoxy]methyl]propoxy]benzoate?
butyl 3-[3-(3-butoxycarbonylphenoxy)-2-[[2-[3-(3-butoxycarbonylphenoxy)-2,2-bis[(3-butoxycarbonylphenoxy)methyl]propyl]-4,8-bis[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-6-yl]methyl]-2-[(3-butoxycarbonylphenoxy)methyl]propoxy]benzoate;2-methylpropyl 3-[3-[3-(2-methylpropoxycarbonyl)phenoxy]-2-[[2-[3-[3-(2-methylpropoxycarbonyl)phenoxy]-2,2-bis[[3-(2-methylpropoxycarbonyl)phenoxy]methyl]propyl]-4,8-bis[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-6-yl]methyl]-2-[[3-(2-methylpropoxycarbonyl)phenoxy]methyl]propoxy]benzoate has a molecular weight of 3880.62 g/mol, XLogP of 48.51, 102 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-[3-(3-butoxycarbonylphenoxy)-2-[[2-[3-(3-butoxycarbonylphenoxy)-2,2-bis[(3-butoxycarbonylphenoxy)methyl]propyl]-4,8-bis[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-6-yl]methyl]-2-[(3-butoxycarbonylphenoxy)methyl]propoxy]benzoate;2-methylpropyl 3-[3-[3-(2-methylpropoxycarbonyl)phenoxy]-2-[[2-[3-[3-(2-methylpropoxycarbonyl)phenoxy]-2,2-bis[[3-(2-methylpropoxycarbonyl)phenoxy]methyl]propyl]-4,8-bis[4-(N-phenylanilino)phenyl]triazolo[4,5-f]benzotriazol-2-ium-3-id-6-yl]methyl]-2-[[3-(2-methylpropoxycarbonyl)phenoxy]methyl]propoxy]benzoate is sourced from PubChem (CID 161179437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).