5,11,17,23-tetratert-butyl-26,28-bis[[1-[10-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxydecyl]triazol-4-yl]methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diol

C156H222N6O16 — CID 102232124

IUPAC5,11,17,23-tetratert-butyl-26,28-bis[[1-[10-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxydecyl]triazol-4-yl]methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diol
SMILESCCCCCOc1cc2c3cc(OCCCCC)c(OCCCCC)cc3c3cc(OCCCCCCCCCCn4cc(COc5c6cc(C(C)(C)C)cc5Cc5cc(C(C)(C)C)cc(c5O)Cc5cc(C(C)(C)C)cc(c5OCc5cn(CCCCCCCCCCOc7cc8c9cc(OCCCCC)c(OCCCCC)cc9c9cc(OCCCCC)c(OCCCCC)cc9c8cc7OCCCCC)nn5)Cc5cc(C(C)(C)C)cc(c5O)C6)nn4)c(OCCCCC)cc3c2cc1OCCCCC
InChIInChI=1S/C156H222N6O16/c1-23-33-57-71-165-137-95-125-127-97-139(167-73-59-35-25-3)143(171-77-63-39-29-7)101-131(127)135-105-147(145(173-79-65-41-31-9)103-133(135)129(125)99-141(137)169-75-61-37-27-5)175-81-67-53-49-45-43-47-51-55-69-161-107-123(157-159-161)109-177-151-115-83-111-87-119(153(11,12)13)89-113(149(111)163)85-117-93-122(156(20,21)22)94-118(86-114-90-120(154(14,15)16)88-112(150(114)164)84-116(151)92-121(91-115)155(17,18)19)152(117)178-110-124-108-162(160-158-124)70-56-52-48-44-46-50-54-68-82-176-148-106-136-132-102-144(172-78-64-40-30-8)140(168-74-60-36-26-4)98-128(132)126-96-138(166-72-58-34-24-2)142(170-76-62-38-28-6)100-130(126)134(136)104-146(148)174-80-66-42-32-10/h87-108,163-164H,23-86,109-110H2,1-22H3
InChIKeyCYWPRMUTNYYRFL-UHFFFAOYSA-N
MW2437.52 g/mol
LogP42.31
Rot. Bonds80

About 5,11,17,23-tetratert-butyl-26,28-bis[[1-[10-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxydecyl]triazol-4-yl]methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diol

5,11,17,23-tetratert-butyl-26,28-bis[[1-[10-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxydecyl]triazol-4-yl]methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diol (PubChem CID 102232124) has the molecular formula C156H222N6O16 and a molecular weight of 2437.52 g/mol. Its IUPAC name is 5,11,17,23-tetratert-butyl-26,28-bis[[1-[10-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxydecyl]triazol-4-yl]methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diol.

Molecular Properties

Compound Name5,11,17,23-tetratert-butyl-26,28-bis[[1-[10-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxydecyl]triazol-4-yl]methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diol
PubChem CID102232124
Molecular FormulaC156H222N6O16
Molecular Weight2437.52 g/mol
Exact Mass2435.67
IUPAC Name5,11,17,23-tetratert-butyl-26,28-bis[[1-[10-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxydecyl]triazol-4-yl]methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diol
SMILESCCCCCOc1cc2c3cc(OCCCCC)c(OCCCCC)cc3c3cc(OCCCCCCCCCCn4cc(COc5c6cc(C(C)(C)C)cc5Cc5cc(C(C)(C)C)cc(c5O)Cc5cc(C(C)(C)C)cc(c5OCc5cn(CCCCCCCCCCOc7cc8c9cc(OCCCCC)c(OCCCCC)cc9c9cc(OCCCCC)c(OCCCCC)cc9c8cc7OCCCCC)nn5)Cc5cc(C(C)(C)C)cc(c5O)C6)nn4)c(OCCCCC)cc3c2cc1OCCCCC
InChIInChI=1S/C156H222N6O16/c1-23-33-57-71-165-137-95-125-127-97-139(167-73-59-35-25-3)143(171-77-63-39-29-7)101-131(127)135-105-147(145(173-79-65-41-31-9)103-133(135)129(125)99-141(137)169-75-61-37-27-5)175-81-67-53-49-45-43-47-51-55-69-161-107-123(157-159-161)109-177-151-115-83-111-87-119(153(11,12)13)89-113(149(111)163)85-117-93-122(156(20,21)22)94-118(86-114-90-120(154(14,15)16)88-112(150(114)164)84-116(151)92-121(91-115)155(17,18)19)152(117)178-110-124-108-162(160-158-124)70-56-52-48-44-46-50-54-68-82-176-148-106-136-132-102-144(172-78-64-40-30-8)140(168-74-60-36-26-4)98-128(132)126-96-138(166-72-58-34-24-2)142(170-76-62-38-28-6)100-130(126)134(136)104-146(148)174-80-66-42-32-10/h87-108,163-164H,23-86,109-110H2,1-22H3
InChIKeyCYWPRMUTNYYRFL-UHFFFAOYSA-N
XLogP42.31
TPSA231.10 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds80
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002437.52
LogP ≤ 542.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5,11,17,23-tetratert-butyl-26,28-bis[[1-[10-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxydecyl]triazol-4-yl]methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diol with MolForge

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Related Compounds

5,11,17,23-tetratert-butyl-28-[[1-[2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-[4-[(5,11,17,23-tetratert-butyl-26,27,28-trihydroxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)oxymethyl]triazol-1-yl]ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethyl]triazol-4-yl]methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27-triol
CID 102009161
1-[6-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxyhexyl]-4-[[4-[4-[[1-[6-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxyhexyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazole
CID 101496236
5,11,17,23-tetratert-butyl-26,28-bis[[1-(pyren-1-ylmethyl)triazol-4-yl]methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diol
CID 102024783
5,17-ditert-butyl-26,28-didecoxy-11,23-dinitropentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diol
CID 10819577
5,11,17,23,29-pentatert-butyl-32,33,34,35-tetrakis(pyridin-2-ylmethoxy)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3(35),4,6,9(34),10,12,15,17,19(33),21,23,25(32),27(31),28-pentadecaen-31-ol
CID 10748840
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[2-[2-[2-[4-[[5,11,17,23-tetratert-butyl-26,27,28-tris[[1-[2-[2-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]oxane-3,4,5-triol
CID 44632569
(2R,3R,4S,5R,6R)-2-[2-[2-[2-[4-[[5,11,17,23,29,35-hexatert-butyl-38,39,40,41,42-pentakis[[1-[2-[2-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 52916066
2-[4-[[26,27,28-tris[[1-(2-aminoethyl)triazol-4-yl]methoxy]-5,11,17,23-tetramethyl-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxymethyl]triazol-1-yl]ethanamine
CID 139251753
5,11,17,23,29,35-hexatert-butyl-38,40,42-tris[(1-ethylimidazol-2-yl)methoxy]heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,39,41-triol
CID 101116096
5,11,17,23-tetratert-butyl-26,28-bis(3-hydroxypropoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diol
CID 57393034
5-[(1-octadecyltriazol-4-yl)methoxy]benzene-1,3-dicarbonyl chloride
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5-[(1-hexadecyltriazol-4-yl)methoxy]benzene-1,3-dicarbonyl chloride
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Frequently Asked Questions

What is the IUPAC name of 5,11,17,23-tetratert-butyl-26,28-bis[[1-[10-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxydecyl]triazol-4-yl]methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diol?
The IUPAC name of 5,11,17,23-tetratert-butyl-26,28-bis[[1-[10-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxydecyl]triazol-4-yl]methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diol (CID 102232124) is 5,11,17,23-tetratert-butyl-26,28-bis[[1-[10-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxydecyl]triazol-4-yl]methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diol.
What is the SMILES notation for 5,11,17,23-tetratert-butyl-26,28-bis[[1-[10-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxydecyl]triazol-4-yl]methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diol?
The canonical SMILES for 5,11,17,23-tetratert-butyl-26,28-bis[[1-[10-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxydecyl]triazol-4-yl]methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diol is CCCCCOc1cc2c3cc(OCCCCC)c(OCCCCC)cc3c3cc(OCCCCCCCCCCn4cc(COc5c6cc(C(C)(C)C)cc5Cc5cc(C(C)(C)C)cc(c5O)Cc5cc(C(C)(C)C)cc(c5OCc5cn(CCCCCCCCCCOc7cc8c9cc(OCCCCC)c(OCCCCC)cc9c9cc(OCCCCC)c(OCCCCC)cc9c8cc7OCCCCC)nn5)Cc5cc(C(C)(C)C)cc(c5O)C6)nn4)c(OCCCCC)cc3c2cc1OCCCCC.
What is the InChIKey of 5,11,17,23-tetratert-butyl-26,28-bis[[1-[10-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxydecyl]triazol-4-yl]methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diol?
The InChIKey is CYWPRMUTNYYRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C156H222N6O16/c1-23-33-57-71-165-137-95-125-127-97-139(167-73-59-35-25-3)143(171-77-63-39-29-7)101-131(127)135-105-147(145(173-79-65-41-31-9)103-133(135)129(125)99-141(137)169-75-61-37-27-5)175-81-67-53-49-45-43-47-51-55-69-161-107-123(157-159-161)109-177-151-115-83-111-87-119(153(11,12)13)89-113(149(111)163)85-117-93-122(156(20,21)22)94-118(86-114-90-120(154(14,15)16)88-112(150(114)164)84-116(151)92-121(91-115)155(17,18)19)152(117)178-110-124-108-162(160-158-124)70-56-52-48-44-46-50-54-68-82-176-148-106-136-132-102-144(172-78-64-40-30-8)140(168-74-60-36-26-4)98-128(132)126-96-138(166-72-58-34-24-2)142(170-76-62-38-28-6)100-130(126)134(136)104-146(148)174-80-66-42-32-10/h87-108,163-164H,23-86,109-110H2,1-22H3.
What are the key properties of 5,11,17,23-tetratert-butyl-26,28-bis[[1-[10-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxydecyl]triazol-4-yl]methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diol?
5,11,17,23-tetratert-butyl-26,28-bis[[1-[10-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxydecyl]triazol-4-yl]methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diol has a molecular weight of 2437.52 g/mol, XLogP of 42.31, 80 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11,17,23-tetratert-butyl-26,28-bis[[1-[10-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxydecyl]triazol-4-yl]methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diol is sourced from PubChem (CID 102232124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).