[4-[[3-[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]-5-[[2,4,6-trimethyl-3,5-bis[[3-[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]-5-[[4-[(3R,4S)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methoxy]phenyl]-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]methanone

C144H144N6O15 — CID 135015214

IUPAC[4-[[3-[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]-5-[[2,4,6-trimethyl-3,5-bis[[3-[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]-5-[[4-[(3R,4S)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methoxy]phenyl]-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]methanone
SMILESCc1c(COc2cc(COc3ccc(C(=O)[C@H]4CN(C)C[C@@H]4c4ccccc4)cc3)cc(COc3ccc(C(=O)[C@@H]4CN(C)C[C@H]4c4ccccc4)cc3)c2)c(C)c(COc2cc(COc3ccc(C(=O)[C@H]4CN(C)C[C@@H]4c4ccccc4)cc3)cc(COc3ccc(C(=O)[C@@H]4CN(C)C[C@H]4c4ccccc4)cc3)c2)c(C)c1COc1cc(COc2ccc(C(=O)[C@H]3CN(C)C[C@@H]3c3ccccc3)cc2)cc(COc2ccc(C(=O)[C@@H]3CN(C)C[C@H]3c3ccccc3)cc2)c1
InChIInChI=1S/C144H144N6O15/c1-94-136(91-163-121-67-97(85-157-115-52-40-109(41-53-115)139(151)130-79-145(4)73-124(130)103-28-16-10-17-29-103)64-98(68-121)86-158-116-54-42-110(43-55-116)140(152)131-80-146(5)74-125(131)104-30-18-11-19-31-104)95(2)138(93-165-123-71-101(89-161-119-60-48-113(49-61-119)143(155)134-83-149(8)77-128(134)107-36-24-14-25-37-107)66-102(72-123)90-162-120-62-50-114(51-63-120)144(156)135-84-150(9)78-129(135)108-38-26-15-27-39-108)96(3)137(94)92-164-122-69-99(87-159-117-56-44-111(45-57-117)141(153)132-81-147(6)75-126(132)105-32-20-12-21-33-105)65-100(70-122)88-160-118-58-46-112(47-59-118)142(154)133-82-148(7)76-127(133)106-34-22-13-23-35-106/h10-72,124-135H,73-93H2,1-9H3/t124-,125+,126-,127+,128-,129+,130+,131-,132+,133-,134+,135-
InChIKeyYCTKSYYVAPFUGX-KDJSDZOMSA-N
MW2198.76 g/mol
LogP25.99
Rot. Bonds45

About [4-[[3-[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]-5-[[2,4,6-trimethyl-3,5-bis[[3-[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]-5-[[4-[(3R,4S)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methoxy]phenyl]-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]methanone

[4-[[3-[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]-5-[[2,4,6-trimethyl-3,5-bis[[3-[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]-5-[[4-[(3R,4S)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methoxy]phenyl]-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]methanone (PubChem CID 135015214) has the molecular formula C144H144N6O15 and a molecular weight of 2198.76 g/mol. Its IUPAC name is [4-[[3-[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]-5-[[2,4,6-trimethyl-3,5-bis[[3-[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]-5-[[4-[(3R,4S)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methoxy]phenyl]-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[4-[[3-[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]-5-[[2,4,6-trimethyl-3,5-bis[[3-[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]-5-[[4-[(3R,4S)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methoxy]phenyl]-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]methanone
PubChem CID135015214
Molecular FormulaC144H144N6O15
Molecular Weight2198.76 g/mol
Exact Mass2197.07
IUPAC Name[4-[[3-[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]-5-[[2,4,6-trimethyl-3,5-bis[[3-[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]-5-[[4-[(3R,4S)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methoxy]phenyl]-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]methanone
SMILESCc1c(COc2cc(COc3ccc(C(=O)[C@H]4CN(C)C[C@@H]4c4ccccc4)cc3)cc(COc3ccc(C(=O)[C@@H]4CN(C)C[C@H]4c4ccccc4)cc3)c2)c(C)c(COc2cc(COc3ccc(C(=O)[C@H]4CN(C)C[C@@H]4c4ccccc4)cc3)cc(COc3ccc(C(=O)[C@@H]4CN(C)C[C@H]4c4ccccc4)cc3)c2)c(C)c1COc1cc(COc2ccc(C(=O)[C@H]3CN(C)C[C@@H]3c3ccccc3)cc2)cc(COc2ccc(C(=O)[C@@H]3CN(C)C[C@H]3c3ccccc3)cc2)c1
InChIInChI=1S/C144H144N6O15/c1-94-136(91-163-121-67-97(85-157-115-52-40-109(41-53-115)139(151)130-79-145(4)73-124(130)103-28-16-10-17-29-103)64-98(68-121)86-158-116-54-42-110(43-55-116)140(152)131-80-146(5)74-125(131)104-30-18-11-19-31-104)95(2)138(93-165-123-71-101(89-161-119-60-48-113(49-61-119)143(155)134-83-149(8)77-128(134)107-36-24-14-25-37-107)66-102(72-123)90-162-120-62-50-114(51-63-120)144(156)135-84-150(9)78-129(135)108-38-26-15-27-39-108)96(3)137(94)92-164-122-69-99(87-159-117-56-44-111(45-57-117)141(153)132-81-147(6)75-126(132)105-32-20-12-21-33-105)65-100(70-122)88-160-118-58-46-112(47-59-118)142(154)133-82-148(7)76-127(133)106-34-22-13-23-35-106/h10-72,124-135H,73-93H2,1-9H3/t124-,125+,126-,127+,128-,129+,130+,131-,132+,133-,134+,135-
InChIKeyYCTKSYYVAPFUGX-KDJSDZOMSA-N
XLogP25.99
TPSA204.93 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds45
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002198.76
LogP ≤ 525.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze [4-[[3-[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]-5-[[2,4,6-trimethyl-3,5-bis[[3-[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]-5-[[4-[(3R,4S)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methoxy]phenyl]-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]methanone with MolForge

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Related Compounds

[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-[4-[[2,4,6-trimethyl-3,5-bis[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]phenyl]methoxy]phenyl]methanone
CID 135015215
[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-[4-[[2,3,4,5,6-pentakis[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]phenyl]methoxy]phenyl]methanone
CID 135015217
[4-[[3-[[4-[(3R,4S)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]-5-[[2,3,4,5,6-pentakis[[3-[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]-5-[[4-[(3R,4S)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methoxy]phenyl]-[(3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl]methanone
CID 135015218
14,18,32,36-Tetrahexoxy-3,11,21,29-tetrazaundecacyclo[29.5.3.313,19.13,6.15,9.18,11.121,24.123,27.126,29.034,38.016,44]octatetraconta-1(37),5(47),6,8,13(45),14,16,18,23,25,27(41),31,33,35,38,43-hexadecaene-4,10,22,28,40,42,46,48-octone;toluene
CID 139194649
Bis[2-[2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]-4-(1-pyrrolidin-1-ylethoxy)phenyl]methanone
CID 141524747
tris(2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide);2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;methane;molecular hydrogen;hydrobromide
CID 158093609
(6-Methoxycarbonylnaphthalen-2-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 159078345
Tetrakis(bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]benzoyl]benzene-1,2-dicarboxylate);bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzene-1,2-dicarboxylate;bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[4-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxycarbonyl]-3-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]benzoyl]benzene-1,2-dicarboxylate;methanol;octahydrate
CID 160073424
(6-Methoxycarbonylnaphthalen-2-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methoxycarbonylnaphthalen-2-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(6-methylnaphthalen-2-yl)methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;(5-methylnaphthalen-1-yl) 2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 160115174
Bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]benzoyl]benzene-1,2-dicarboxylate;bis(bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[3,4-bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxycarbonyl]phenoxy]benzene-1,2-dicarboxylate);methane;methanol
CID 160218000
tris(2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide);2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;molecular hydrogen;hydrobromide
CID 160431014
tris(2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide);bis(2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide);methane;molecular hydrogen;hydrobromide
CID 160641974

Frequently Asked Questions

What is the IUPAC name of [4-[[3-[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]-5-[[2,4,6-trimethyl-3,5-bis[[3-[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]-5-[[4-[(3R,4S)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methoxy]phenyl]-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]methanone?
The IUPAC name of [4-[[3-[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]-5-[[2,4,6-trimethyl-3,5-bis[[3-[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]-5-[[4-[(3R,4S)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methoxy]phenyl]-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]methanone (CID 135015214) is [4-[[3-[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]-5-[[2,4,6-trimethyl-3,5-bis[[3-[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]-5-[[4-[(3R,4S)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methoxy]phenyl]-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]methanone.
What is the SMILES notation for [4-[[3-[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]-5-[[2,4,6-trimethyl-3,5-bis[[3-[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]-5-[[4-[(3R,4S)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methoxy]phenyl]-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]methanone?
The canonical SMILES for [4-[[3-[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]-5-[[2,4,6-trimethyl-3,5-bis[[3-[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]-5-[[4-[(3R,4S)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methoxy]phenyl]-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]methanone is Cc1c(COc2cc(COc3ccc(C(=O)[C@H]4CN(C)C[C@@H]4c4ccccc4)cc3)cc(COc3ccc(C(=O)[C@@H]4CN(C)C[C@H]4c4ccccc4)cc3)c2)c(C)c(COc2cc(COc3ccc(C(=O)[C@H]4CN(C)C[C@@H]4c4ccccc4)cc3)cc(COc3ccc(C(=O)[C@@H]4CN(C)C[C@H]4c4ccccc4)cc3)c2)c(C)c1COc1cc(COc2ccc(C(=O)[C@H]3CN(C)C[C@@H]3c3ccccc3)cc2)cc(COc2ccc(C(=O)[C@@H]3CN(C)C[C@H]3c3ccccc3)cc2)c1.
What is the InChIKey of [4-[[3-[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]-5-[[2,4,6-trimethyl-3,5-bis[[3-[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]-5-[[4-[(3R,4S)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methoxy]phenyl]-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]methanone?
The InChIKey is YCTKSYYVAPFUGX-KDJSDZOMSA-N. The full InChI is InChI=1S/C144H144N6O15/c1-94-136(91-163-121-67-97(85-157-115-52-40-109(41-53-115)139(151)130-79-145(4)73-124(130)103-28-16-10-17-29-103)64-98(68-121)86-158-116-54-42-110(43-55-116)140(152)131-80-146(5)74-125(131)104-30-18-11-19-31-104)95(2)138(93-165-123-71-101(89-161-119-60-48-113(49-61-119)143(155)134-83-149(8)77-128(134)107-36-24-14-25-37-107)66-102(72-123)90-162-120-62-50-114(51-63-120)144(156)135-84-150(9)78-129(135)108-38-26-15-27-39-108)96(3)137(94)92-164-122-69-99(87-159-117-56-44-111(45-57-117)141(153)132-81-147(6)75-126(132)105-32-20-12-21-33-105)65-100(70-122)88-160-118-58-46-112(47-59-118)142(154)133-82-148(7)76-127(133)106-34-22-13-23-35-106/h10-72,124-135H,73-93H2,1-9H3/t124-,125+,126-,127+,128-,129+,130+,131-,132+,133-,134+,135-.
What are the key properties of [4-[[3-[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]-5-[[2,4,6-trimethyl-3,5-bis[[3-[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]-5-[[4-[(3R,4S)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methoxy]phenyl]-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]methanone?
[4-[[3-[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]-5-[[2,4,6-trimethyl-3,5-bis[[3-[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]-5-[[4-[(3R,4S)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methoxy]phenyl]-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]methanone has a molecular weight of 2198.76 g/mol, XLogP of 25.99, 45 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]-5-[[2,4,6-trimethyl-3,5-bis[[3-[[4-[(3S,4R)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]-5-[[4-[(3R,4S)-1-methyl-4-phenylpyrrolidine-3-carbonyl]phenoxy]methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methoxy]phenyl]-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]methanone is sourced from PubChem (CID 135015214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).