5,11-bis[11-[11-[11-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene

C243H227N9 — CID 90295974

IUPAC5,11-bis[11-[11-[11-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESCC1(C)c2cccc3c2N2c4c1cccc4C(C)(C)c1cc(-c4cc5c6c(c4)C(C)(C)c4cc(-c7cc8c9c(c7)C(C)(C)c7cc(-c%10cc%11c%12c(c%10)C(C)(C)c%10cc(-c%13cc%14c%15c(c%13)C(C)(C)c%13cc(-c%16cc%17c%18c(c%16)C(C)(C)c%16cc(-c%19cc%20c%21c(c%19)C(C)(C)c%19cc(-c%22cc%23c%24c(c%22)C(C)(C)c%22cc(-c%25cc%26c%27c(c%25)C(C)(C)c%25cccc%28c%25N%27c%25c(cccc%25C%26(C)C)C%28(C)C)cc%25c%22N%24c%22c(cccc%22C%23(C)C)C%25(C)C)cc%22c%19N%21c%19c(cccc%19C%20(C)C)C%22(C)C)cc%19c%16N%18c%16c(cccc%16C%17(C)C)C%19(C)C)cc%16c%13N%15c%13c(cccc%13C%16(C)C)C%14(C)C)cc%13c%10N%12c%10c(cccc%10C%13(C)C)C%11(C)C)cc%10c7N9c7c(cccc7C%10(C)C)C8(C)C)cc7c4N6c4c(cccc4C7(C)C)C5(C)C)cc(c12)C3(C)C
InChIInChI=1S/C243H227N9/c1-217(2)136-66-55-70-140-190(136)244-191-137(217)67-56-71-141(191)220(7,8)159-89-120(88-158(201(159)244)219(140,5)6)122-92-162-203-176(106-122)237(41,42)178-108-124(94-164-205(178)246(203)194-144(223(162,13)14)74-59-76-146(194)225(164,17)18)126-96-166-207-180(110-126)239(45,46)182-112-128(98-168-209(182)248(207)196-148(227(166,21)22)78-61-80-150(196)229(168,25)26)130-100-170-211-184(114-130)241(49,50)186-116-132(102-172-213(186)250(211)198-152(231(170,29)30)82-63-84-154(198)233(172,33)34)134-104-174-215-188(118-134)243(53,54)189-119-135(105-175-216(189)252(215)200-156(235(174,37)38)86-65-87-157(200)236(175,39)40)133-103-173-214-187(117-133)242(51,52)185-115-131(101-171-212(185)251(214)199-153(232(171,31)32)83-64-85-155(199)234(173,35)36)129-99-169-210-183(113-129)240(47,48)181-111-127(97-167-208(181)249(210)197-149(228(167,23)24)79-62-81-151(197)230(169,27)28)125-95-165-206-179(109-125)238(43,44)177-107-123(93-163-204(177)247(206)195-145(224(163,15)16)75-60-77-147(195)226(165,19)20)121-90-160-202-161(91-121)222(11,12)143-73-58-69-139-193(143)245(202)192-138(218(139,3)4)68-57-72-142(192)221(160,9)10/h55-119H,1-54H3
InChIKeyPJPSVICLEFEXIQ-UHFFFAOYSA-N
MW3273.55 g/mol
LogP63.51
Rot. Bonds8

About 5,11-bis[11-[11-[11-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene

5,11-bis[11-[11-[11-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene (PubChem CID 90295974) has the molecular formula C243H227N9 and a molecular weight of 3273.55 g/mol. Its IUPAC name is 5,11-bis[11-[11-[11-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene.

Molecular Properties

Compound Name5,11-bis[11-[11-[11-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
PubChem CID90295974
Molecular FormulaC243H227N9
Molecular Weight3273.55 g/mol
Exact Mass3270.80
IUPAC Name5,11-bis[11-[11-[11-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESCC1(C)c2cccc3c2N2c4c1cccc4C(C)(C)c1cc(-c4cc5c6c(c4)C(C)(C)c4cc(-c7cc8c9c(c7)C(C)(C)c7cc(-c%10cc%11c%12c(c%10)C(C)(C)c%10cc(-c%13cc%14c%15c(c%13)C(C)(C)c%13cc(-c%16cc%17c%18c(c%16)C(C)(C)c%16cc(-c%19cc%20c%21c(c%19)C(C)(C)c%19cc(-c%22cc%23c%24c(c%22)C(C)(C)c%22cc(-c%25cc%26c%27c(c%25)C(C)(C)c%25cccc%28c%25N%27c%25c(cccc%25C%26(C)C)C%28(C)C)cc%25c%22N%24c%22c(cccc%22C%23(C)C)C%25(C)C)cc%22c%19N%21c%19c(cccc%19C%20(C)C)C%22(C)C)cc%19c%16N%18c%16c(cccc%16C%17(C)C)C%19(C)C)cc%16c%13N%15c%13c(cccc%13C%16(C)C)C%14(C)C)cc%13c%10N%12c%10c(cccc%10C%13(C)C)C%11(C)C)cc%10c7N9c7c(cccc7C%10(C)C)C8(C)C)cc7c4N6c4c(cccc4C7(C)C)C5(C)C)cc(c12)C3(C)C
InChIInChI=1S/C243H227N9/c1-217(2)136-66-55-70-140-190(136)244-191-137(217)67-56-71-141(191)220(7,8)159-89-120(88-158(201(159)244)219(140,5)6)122-92-162-203-176(106-122)237(41,42)178-108-124(94-164-205(178)246(203)194-144(223(162,13)14)74-59-76-146(194)225(164,17)18)126-96-166-207-180(110-126)239(45,46)182-112-128(98-168-209(182)248(207)196-148(227(166,21)22)78-61-80-150(196)229(168,25)26)130-100-170-211-184(114-130)241(49,50)186-116-132(102-172-213(186)250(211)198-152(231(170,29)30)82-63-84-154(198)233(172,33)34)134-104-174-215-188(118-134)243(53,54)189-119-135(105-175-216(189)252(215)200-156(235(174,37)38)86-65-87-157(200)236(175,39)40)133-103-173-214-187(117-133)242(51,52)185-115-131(101-171-212(185)251(214)199-153(232(171,31)32)83-64-85-155(199)234(173,35)36)129-99-169-210-183(113-129)240(47,48)181-111-127(97-167-208(181)249(210)197-149(228(167,23)24)79-62-81-151(197)230(169,27)28)125-95-165-206-179(109-125)238(43,44)177-107-123(93-163-204(177)247(206)195-145(224(163,15)16)75-60-77-147(195)226(165,19)20)121-90-160-202-161(91-121)222(11,12)143-73-58-69-139-193(143)245(202)192-138(218(139,3)4)68-57-72-142(192)221(160,9)10/h55-119H,1-54H3
InChIKeyPJPSVICLEFEXIQ-UHFFFAOYSA-N
XLogP63.51
TPSA29.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms252
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003273.55
LogP ≤ 563.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5,11-bis[11-[11-[11-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene with MolForge

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Related Compounds

8,8,14,14,22,22-hexamethyl-5-phenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 70885935
8,8,14,14,22,22-hexamethyl-5,11-bis(3-phenylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 70893178
5,8,8,14,14,22,22-heptamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 118518030
8,8,14,14,22,22-hexamethyl-5,11-dinaphthalen-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 70892958
5,11-diiodo-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 90285741
ethane;8,8,14,14,22,22-hexamethyl-5,11,17-triphenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 143425652
8,8,14,14,22,22-hexamethyl-5-(4-naphthalen-1-ylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 91355361
8,8,14,14-tetramethyl-11-[4-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 90330276
8,8,14,14,22,22-hexamethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 90285418
N-[4-(8,8,14,14,22,22-hexamethyl-11-phenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 70885924
8,8,14,14-tetramethyl-5,17-diphenyl-11-[4-[4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)phenyl]phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 90330364
5-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 71127522

Frequently Asked Questions

What is the IUPAC name of 5,11-bis[11-[11-[11-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The IUPAC name of 5,11-bis[11-[11-[11-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene (CID 90295974) is 5,11-bis[11-[11-[11-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene.
What is the SMILES notation for 5,11-bis[11-[11-[11-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The canonical SMILES for 5,11-bis[11-[11-[11-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene is CC1(C)c2cccc3c2N2c4c1cccc4C(C)(C)c1cc(-c4cc5c6c(c4)C(C)(C)c4cc(-c7cc8c9c(c7)C(C)(C)c7cc(-c%10cc%11c%12c(c%10)C(C)(C)c%10cc(-c%13cc%14c%15c(c%13)C(C)(C)c%13cc(-c%16cc%17c%18c(c%16)C(C)(C)c%16cc(-c%19cc%20c%21c(c%19)C(C)(C)c%19cc(-c%22cc%23c%24c(c%22)C(C)(C)c%22cc(-c%25cc%26c%27c(c%25)C(C)(C)c%25cccc%28c%25N%27c%25c(cccc%25C%26(C)C)C%28(C)C)cc%25c%22N%24c%22c(cccc%22C%23(C)C)C%25(C)C)cc%22c%19N%21c%19c(cccc%19C%20(C)C)C%22(C)C)cc%19c%16N%18c%16c(cccc%16C%17(C)C)C%19(C)C)cc%16c%13N%15c%13c(cccc%13C%16(C)C)C%14(C)C)cc%13c%10N%12c%10c(cccc%10C%13(C)C)C%11(C)C)cc%10c7N9c7c(cccc7C%10(C)C)C8(C)C)cc7c4N6c4c(cccc4C7(C)C)C5(C)C)cc(c12)C3(C)C.
What is the InChIKey of 5,11-bis[11-[11-[11-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The InChIKey is PJPSVICLEFEXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C243H227N9/c1-217(2)136-66-55-70-140-190(136)244-191-137(217)67-56-71-141(191)220(7,8)159-89-120(88-158(201(159)244)219(140,5)6)122-92-162-203-176(106-122)237(41,42)178-108-124(94-164-205(178)246(203)194-144(223(162,13)14)74-59-76-146(194)225(164,17)18)126-96-166-207-180(110-126)239(45,46)182-112-128(98-168-209(182)248(207)196-148(227(166,21)22)78-61-80-150(196)229(168,25)26)130-100-170-211-184(114-130)241(49,50)186-116-132(102-172-213(186)250(211)198-152(231(170,29)30)82-63-84-154(198)233(172,33)34)134-104-174-215-188(118-134)243(53,54)189-119-135(105-175-216(189)252(215)200-156(235(174,37)38)86-65-87-157(200)236(175,39)40)133-103-173-214-187(117-133)242(51,52)185-115-131(101-171-212(185)251(214)199-153(232(171,31)32)83-64-85-155(199)234(173,35)36)129-99-169-210-183(113-129)240(47,48)181-111-127(97-167-208(181)249(210)197-149(228(167,23)24)79-62-81-151(197)230(169,27)28)125-95-165-206-179(109-125)238(43,44)177-107-123(93-163-204(177)247(206)195-145(224(163,15)16)75-60-77-147(195)226(165,19)20)121-90-160-202-161(91-121)222(11,12)143-73-58-69-139-193(143)245(202)192-138(218(139,3)4)68-57-72-142(192)221(160,9)10/h55-119H,1-54H3.
What are the key properties of 5,11-bis[11-[11-[11-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?
5,11-bis[11-[11-[11-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene has a molecular weight of 3273.55 g/mol, XLogP of 63.51, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-bis[11-[11-[11-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 90295974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).