[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

C276H270N12O30 — CID 135015218

IUPAC[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
SMILESCN1C[C@H](C(=O)c2ccc(OCc3cc(COc4ccc(C(=O)[C@@H]5CN(C)C[C@H]5c5ccccc5)cc4)cc(OCc4c(COc5cc(COc6ccc(C(=O)[C@H]7CN(C)C[C@@H]7c7ccccc7)cc6)cc(COc6ccc(C(=O)[C@@H]7CN(C)C[C@H]7c7ccccc7)cc6)c5)c(COc5cc(COc6ccc(C(=O)[C@H]7CN(C)C[C@@H]7c7ccccc7)cc6)cc(COc6ccc(C(=O)[C@@H]7CN(C)C[C@H]7c7ccccc7)cc6)c5)c(COc5cc(COc6ccc(C(=O)[C@H]7CN(C)C[C@@H]7c7ccccc7)cc6)cc(COc6ccc(C(=O)[C@@H]7CN(C)C[C@H]7c7ccccc7)cc6)c5)c(COc5cc(COc6ccc(C(=O)[C@H]7CN(C)C[C@@H]7c7ccccc7)cc6)cc(COc6ccc(C(=O)[C@@H]7CN(C)C[C@H]7c7ccccc7)cc6)c5)c4COc4cc(COc5ccc(C(=O)[C@H]6CN(C)C[C@@H]6c6ccccc6)cc5)cc(COc5ccc(C(=O)[C@@H]6CN(C)C[C@H]6c6ccccc6)cc5)c4)c3)cc2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C276H270N12O30/c1-277-139-235(193-49-25-13-26-50-193)247(151-277)265(289)205-73-97-217(98-74-205)301-163-181-121-182(164-302-218-99-75-206(76-100-218)266(290)248-152-278(2)140-236(248)194-51-27-14-28-52-194)128-229(127-181)313-175-259-260(176-314-230-129-183(165-303-219-101-77-207(78-102-219)267(291)249-153-279(3)141-237(249)195-53-29-15-30-54-195)122-184(130-230)166-304-220-103-79-208(80-104-220)268(292)250-154-280(4)142-238(250)196-55-31-16-32-56-196)262(178-316-232-133-187(169-307-223-109-85-211(86-110-223)271(295)253-157-283(7)145-241(253)199-61-37-19-38-62-199)124-188(134-232)170-308-224-111-87-212(88-112-224)272(296)254-158-284(8)146-242(254)200-63-39-20-40-64-200)264(180-318-234-137-191(173-311-227-117-93-215(94-118-227)275(299)257-161-287(11)149-245(257)203-69-45-23-46-70-203)126-192(138-234)174-312-228-119-95-216(96-120-228)276(300)258-162-288(12)150-246(258)204-71-47-24-48-72-204)263(179-317-233-135-189(171-309-225-113-89-213(90-114-225)273(297)255-159-285(9)147-243(255)201-65-41-21-42-66-201)125-190(136-233)172-310-226-115-91-214(92-116-226)274(298)256-160-286(10)148-244(256)202-67-43-22-44-68-202)261(259)177-315-231-131-185(167-305-221-105-81-209(82-106-221)269(293)251-155-281(5)143-239(251)197-57-33-17-34-58-197)123-186(132-231)168-306-222-107-83-210(84-108-222)270(294)252-156-282(6)144-240(252)198-59-35-18-36-60-198/h13-138,235-258H,139-180H2,1-12H3/t235-,236+,237-,238+,239-,240+,241-,242+,243-,244+,245-,246+,247+,248-,249+,250-,251+,252-,253+,254-,255+,256-,257+,258-
InChIKeyITLUYFKDJDDFIT-JZVLVCADSA-N
MW4235.25 g/mol
LogP48.45
Rot. Bonds90

About [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

[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 (PubChem CID 135015218) has the molecular formula C276H270N12O30 and a molecular weight of 4235.25 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID135015218
Molecular FormulaC276H270N12O30
Molecular Weight4235.25 g/mol
Exact Mass4232.00
IUPAC Name[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
SMILESCN1C[C@H](C(=O)c2ccc(OCc3cc(COc4ccc(C(=O)[C@@H]5CN(C)C[C@H]5c5ccccc5)cc4)cc(OCc4c(COc5cc(COc6ccc(C(=O)[C@H]7CN(C)C[C@@H]7c7ccccc7)cc6)cc(COc6ccc(C(=O)[C@@H]7CN(C)C[C@H]7c7ccccc7)cc6)c5)c(COc5cc(COc6ccc(C(=O)[C@H]7CN(C)C[C@@H]7c7ccccc7)cc6)cc(COc6ccc(C(=O)[C@@H]7CN(C)C[C@H]7c7ccccc7)cc6)c5)c(COc5cc(COc6ccc(C(=O)[C@H]7CN(C)C[C@@H]7c7ccccc7)cc6)cc(COc6ccc(C(=O)[C@@H]7CN(C)C[C@H]7c7ccccc7)cc6)c5)c(COc5cc(COc6ccc(C(=O)[C@H]7CN(C)C[C@@H]7c7ccccc7)cc6)cc(COc6ccc(C(=O)[C@@H]7CN(C)C[C@H]7c7ccccc7)cc6)c5)c4COc4cc(COc5ccc(C(=O)[C@H]6CN(C)C[C@@H]6c6ccccc6)cc5)cc(COc5ccc(C(=O)[C@@H]6CN(C)C[C@H]6c6ccccc6)cc5)c4)c3)cc2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C276H270N12O30/c1-277-139-235(193-49-25-13-26-50-193)247(151-277)265(289)205-73-97-217(98-74-205)301-163-181-121-182(164-302-218-99-75-206(76-100-218)266(290)248-152-278(2)140-236(248)194-51-27-14-28-52-194)128-229(127-181)313-175-259-260(176-314-230-129-183(165-303-219-101-77-207(78-102-219)267(291)249-153-279(3)141-237(249)195-53-29-15-30-54-195)122-184(130-230)166-304-220-103-79-208(80-104-220)268(292)250-154-280(4)142-238(250)196-55-31-16-32-56-196)262(178-316-232-133-187(169-307-223-109-85-211(86-110-223)271(295)253-157-283(7)145-241(253)199-61-37-19-38-62-199)124-188(134-232)170-308-224-111-87-212(88-112-224)272(296)254-158-284(8)146-242(254)200-63-39-20-40-64-200)264(180-318-234-137-191(173-311-227-117-93-215(94-118-227)275(299)257-161-287(11)149-245(257)203-69-45-23-46-70-203)126-192(138-234)174-312-228-119-95-216(96-120-228)276(300)258-162-288(12)150-246(258)204-71-47-24-48-72-204)263(179-317-233-135-189(171-309-225-113-89-213(90-114-225)273(297)255-159-285(9)147-243(255)201-65-41-21-42-66-201)125-190(136-233)172-310-226-115-91-214(92-116-226)274(298)256-160-286(10)148-244(256)202-67-43-22-44-68-202)261(259)177-315-231-131-185(167-305-221-105-81-209(82-106-221)269(293)251-155-281(5)143-239(251)197-57-33-17-34-58-197)123-186(132-231)168-306-222-107-83-210(84-108-222)270(294)252-156-282(6)144-240(252)198-59-35-18-36-60-198/h13-138,235-258H,139-180H2,1-12H3/t235-,236+,237-,238+,239-,240+,241-,242+,243-,244+,245-,246+,247+,248-,249+,250-,251+,252-,253+,254-,255+,256-,257+,258-
InChIKeyITLUYFKDJDDFIT-JZVLVCADSA-N
XLogP48.45
TPSA409.86 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds90
Heavy Atoms318
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004235.25
LogP ≤ 548.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze [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 with MolForge

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Related Compounds

[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
[(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
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
(6-methoxycarbonylnaphthalen-2-yl) 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;3-methoxy-1,2,2,5,5-pentamethylpyrrolidine;3-methoxy-2,2,5,5-tetramethylpyrrolidine;1-O-methyl 4-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclohexane-1,4-dicarboxylate;(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl acetate;(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl 4-methylcyclohexane-1-carboxylate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 4-methylcyclohexane-1-carboxylate
CID 157802551
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[(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;tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclopentane-1,2,3,4-tetracarboxylate
CID 160136857
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

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CN1C[C@H](C(=O)c2ccc(OCc3cc(COc4ccc(C(=O)[C@@H]5CN(C)C[C@H]5c5ccccc5)cc4)cc(OCc4c(COc5cc(COc6ccc(C(=O)[C@H]7CN(C)C[C@@H]7c7ccccc7)cc6)cc(COc6ccc(C(=O)[C@@H]7CN(C)C[C@H]7c7ccccc7)cc6)c5)c(COc5cc(COc6ccc(C(=O)[C@H]7CN(C)C[C@@H]7c7ccccc7)cc6)cc(COc6ccc(C(=O)[C@@H]7CN(C)C[C@H]7c7ccccc7)cc6)c5)c(COc5cc(COc6ccc(C(=O)[C@H]7CN(C)C[C@@H]7c7ccccc7)cc6)cc(COc6ccc(C(=O)[C@@H]7CN(C)C[C@H]7c7ccccc7)cc6)c5)c(COc5cc(COc6ccc(C(=O)[C@H]7CN(C)C[C@@H]7c7ccccc7)cc6)cc(COc6ccc(C(=O)[C@@H]7CN(C)C[C@H]7c7ccccc7)cc6)c5)c4COc4cc(COc5ccc(C(=O)[C@H]6CN(C)C[C@@H]6c6ccccc6)cc5)cc(COc5ccc(C(=O)[C@@H]6CN(C)C[C@H]6c6ccccc6)cc5)c4)c3)cc2)[C@@H](c2ccccc2)C1.
What is the InChIKey of [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?
The InChIKey is ITLUYFKDJDDFIT-JZVLVCADSA-N. The full InChI is InChI=1S/C276H270N12O30/c1-277-139-235(193-49-25-13-26-50-193)247(151-277)265(289)205-73-97-217(98-74-205)301-163-181-121-182(164-302-218-99-75-206(76-100-218)266(290)248-152-278(2)140-236(248)194-51-27-14-28-52-194)128-229(127-181)313-175-259-260(176-314-230-129-183(165-303-219-101-77-207(78-102-219)267(291)249-153-279(3)141-237(249)195-53-29-15-30-54-195)122-184(130-230)166-304-220-103-79-208(80-104-220)268(292)250-154-280(4)142-238(250)196-55-31-16-32-56-196)262(178-316-232-133-187(169-307-223-109-85-211(86-110-223)271(295)253-157-283(7)145-241(253)199-61-37-19-38-62-199)124-188(134-232)170-308-224-111-87-212(88-112-224)272(296)254-158-284(8)146-242(254)200-63-39-20-40-64-200)264(180-318-234-137-191(173-311-227-117-93-215(94-118-227)275(299)257-161-287(11)149-245(257)203-69-45-23-46-70-203)126-192(138-234)174-312-228-119-95-216(96-120-228)276(300)258-162-288(12)150-246(258)204-71-47-24-48-72-204)263(179-317-233-135-189(171-309-225-113-89-213(90-114-225)273(297)255-159-285(9)147-243(255)201-65-41-21-42-66-201)125-190(136-233)172-310-226-115-91-214(92-116-226)274(298)256-160-286(10)148-244(256)202-67-43-22-44-68-202)261(259)177-315-231-131-185(167-305-221-105-81-209(82-106-221)269(293)251-155-281(5)143-239(251)197-57-33-17-34-58-197)123-186(132-231)168-306-222-107-83-210(84-108-222)270(294)252-156-282(6)144-240(252)198-59-35-18-36-60-198/h13-138,235-258H,139-180H2,1-12H3/t235-,236+,237-,238+,239-,240+,241-,242+,243-,244+,245-,246+,247+,248-,249+,250-,251+,252-,253+,254-,255+,256-,257+,258-.
What are the key properties of [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?
[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 has a molecular weight of 4235.25 g/mol, XLogP of 48.45, 90 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 135015218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).