triethyl-[[10,13,22,25,38,41,50-heptakis(triethylsilyloxy)-53-tridecacyclo[52.2.2.26,9.210,13.214,17.218,21.222,25.226,29.234,37.238,41.242,45.246,49.250,53]octaconta-1(57),6,8,11,14,16,18,20,23,26,28,34(68),35,37(67),39,42(64),43,45(63),46(62),47,49(61),51,54(58),55,59,65,69,71,73,75,77,79-dotriacontaen-2,4,30,32-tetraynyl]oxy]silane;bis(triethyl-[(1,22,25,30-tetramethoxy-13-triethylsilyloxy-7,16-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14,16,18,20,23,26,28,31,33,35,37,39,41,43,45-henicosaen-10-yl)oxy]silane)

C252H312N4O20Si12 — CID 166436644

About triethyl-[[10,13,22,25,38,41,50-heptakis(triethylsilyloxy)-53-tridecacyclo[52.2.2.26,9.210,13.214,17.218,21.222,25.226,29.234,37.238,41.242,45.246,49.250,53]octaconta-1(57),6,8,11,14,16,18,20,23,26,28,34(68),35,37(67),39,42(64),43,45(63),46(62),47,49(61),51,54(58),55,59,65,69,71,73,75,77,79-dotriacontaen-2,4,30,32-tetraynyl]oxy]silane;bis(triethyl-[(1,22,25,30-tetramethoxy-13-triethylsilyloxy-7,16-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14,16,18,20,23,26,28,31,33,35,37,39,41,43,45-henicosaen-10-yl)oxy]silane)

triethyl-[[10,13,22,25,38,41,50-heptakis(triethylsilyloxy)-53-tridecacyclo[52.2.2.26,9.210,13.214,17.218,21.222,25.226,29.234,37.238,41.242,45.246,49.250,53]octaconta-1(57),6,8,11,14,16,18,20,23,26,28,34(68),35,37(67),39,42(64),43,45(63),46(62),47,49(61),51,54(58),55,59,65,69,71,73,75,77,79-dotriacontaen-2,4,30,32-tetraynyl]oxy]silane;bis(triethyl-[(1,22,25,30-tetramethoxy-13-triethylsilyloxy-7,16-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14,16,18,20,23,26,28,31,33,35,37,39,41,43,45-henicosaen-10-yl)oxy]silane) (PubChem CID 166436644) has the molecular formula C252H312N4O20Si12 and a molecular weight of 4054.31 g/mol. Its IUPAC name is triethyl-[[10,13,22,25,38,41,50-heptakis(triethylsilyloxy)-53-tridecacyclo[52.2.2.26,9.210,13.214,17.218,21.222,25.226,29.234,37.238,41.242,45.246,49.250,53]octaconta-1(57),6,8,11,14,16,18,20,23,26,28,34(68),35,37(67),39,42(64),43,45(63),46(62),47,49(61),51,54(58),55,59,65,69,71,73,75,77,79-dotriacontaen-2,4,30,32-tetraynyl]oxy]silane;bis(triethyl-[(1,22,25,30-tetramethoxy-13-triethylsilyloxy-7,16-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14,16,18,20,23,26,28,31,33,35,37,39,41,43,45-henicosaen-10-yl)oxy]silane).

Molecular Properties

• Compound Name: triethyl-[[10,13,22,25,38,41,50-heptakis(triethylsilyloxy)-53-tridecacyclo[52.2.2.26,9.210,13.214,17.218,21.222,25.226,29.234,37.238,41.242,45.246,49.250,53]octaconta-1(57),6,8,11,14,16,18,20,23,26,28,34(68),35,37(67),39,42(64),43,45(63),46(62),47,49(61),51,54(58),55,59,65,69,71,73,75,77,79-dotriacontaen-2,4,30,32-tetraynyl]oxy]silane;bis(triethyl-[(1,22,25,30-tetramethoxy-13-triethylsilyloxy-7,16-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14,16,18,20,23,26,28,31,33,35,37,39,41,43,45-henicosaen-10-yl)oxy]silane)
• PubChem CID: 166436644
• Molecular Formula: C252H312N4O20Si12
• Molecular Weight: 4054.31 g/mol
• Exact Mass: 4050.08
• IUPAC Name: triethyl-[[10,13,22,25,38,41,50-heptakis(triethylsilyloxy)-53-tridecacyclo[52.2.2.26,9.210,13.214,17.218,21.222,25.226,29.234,37.238,41.242,45.246,49.250,53]octaconta-1(57),6,8,11,14,16,18,20,23,26,28,34(68),35,37(67),39,42(64),43,45(63),46(62),47,49(61),51,54(58),55,59,65,69,71,73,75,77,79-dotriacontaen-2,4,30,32-tetraynyl]oxy]silane;bis(triethyl-[(1,22,25,30-tetramethoxy-13-triethylsilyloxy-7,16-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14,16,18,20,23,26,28,31,33,35,37,39,41,43,45-henicosaen-10-yl)oxy]silane)
• SMILES: CC[Si](CC)(CC)OC12C=CC(O[Si](CC)(CC)CC)(C=C1)c1ccc(cc1)-c1ccc(cc1)C1(O[Si](CC)(CC)CC)C=CC(O[Si](CC)(CC)CC)(C=C1)c1ccc(cc1)C#CC#Cc1ccc(cc1)C1(O[Si](CC)(CC)CC)C=CC(O[Si](CC)(CC)CC)(C=C1)c1ccc(cc1)-c1ccc(cc1)C1(O[Si](CC)(CC)CC)C=CC(O[Si](CC)(CC)CC)(C=C1)c1ccc(cc1)C#CC#Cc1ccc2cc1.CC[Si](CC)(CC)OC12C=CC(O[Si](CC)(CC)CC)(C=C1)c1ccc(nc1)-c1ccc(cc1)C1(OC)C=CC(OC)(C=C1)c1ccc(cc1)C1(OC)C=CC(OC)(C=C1)c1ccc(cc1)-c1ccc2cn1.CC[Si](CC)(CC)OC12C=CC(O[Si](CC)(CC)CC)(C=C1)c1ccc(nc1)-c1ccc(cc1)C1(OC)C=CC(OC)(C=C1)c1ccc(cc1)C1(OC)C=CC(OC)(C=C1)c1ccc(cc1)-c1ccc2cn1
• InChI: InChI=1S/C128H168O8Si8.2C62H72N2O6Si2/c1-25-137(26-2,27-3)129-121-89-97-125(98-90-121,133-141(37-13,38-14)39-15)117-81-65-109(66-82-117)110-67-83-118(84-68-110)126(134-142(40-16,41-17)42-18)99-91-123(92-100-126,131-139(31-7,32-8)33-9)115-77-61-107(62-78-115)55-51-52-56-108-63-79-116(80-64-108)124(132-140(34-10,35-11)36-12)95-103-128(104-96-124,136-144(46-22,47-23)48-24)120-87-71-112(72-88-120)111-69-85-119(86-70-111)127(135-143(43-19,44-20)45-21)101-93-122(94-102-127,130-138(28-4,29-5)30-6)114-75-59-106(60-76-114)54-50-49-53-105-57-73-113(121)74-58-105;2*1-11-71(12-2,13-3)69-61-41-43-62(44-42-61,70-72(14-4,15-5)16-6)54-30-32-56(64-46-54)48-19-23-50(24-20-48)58(66-8)35-39-60(68-10,40-36-58)52-27-25-51(26-28-52)59(67-9)37-33-57(65-7,34-38-59)49-21-17-47(18-22-49)55-31-29-53(61)45-63-55/h57-104H,25-48H2,1-24H3;2*17-46H,11-16H2,1-10H3
• InChIKey: LHGTYOYXANKKPR-UHFFFAOYSA-N
• XLogP: 63.99
• TPSA: 236.16 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 68
• Heavy Atoms: 288
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4054.31
LogP ≤ 5	63.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of triethyl-[[10,13,22,25,38,41,50-heptakis(triethylsilyloxy)-53-tridecacyclo[52.2.2.26,9.210,13.214,17.218,21.222,25.226,29.234,37.238,41.242,45.246,49.250,53]octaconta-1(57),6,8,11,14,16,18,20,23,26,28,34(68),35,37(67),39,42(64),43,45(63),46(62),47,49(61),51,54(58),55,59,65,69,71,73,75,77,79-dotriacontaen-2,4,30,32-tetraynyl]oxy]silane;bis(triethyl-[(1,22,25,30-tetramethoxy-13-triethylsilyloxy-7,16-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14,16,18,20,23,26,28,31,33,35,37,39,41,43,45-henicosaen-10-yl)oxy]silane)?

The IUPAC name of triethyl-[[10,13,22,25,38,41,50-heptakis(triethylsilyloxy)-53-tridecacyclo[52.2.2.26,9.210,13.214,17.218,21.222,25.226,29.234,37.238,41.242,45.246,49.250,53]octaconta-1(57),6,8,11,14,16,18,20,23,26,28,34(68),35,37(67),39,42(64),43,45(63),46(62),47,49(61),51,54(58),55,59,65,69,71,73,75,77,79-dotriacontaen-2,4,30,32-tetraynyl]oxy]silane;bis(triethyl-[(1,22,25,30-tetramethoxy-13-triethylsilyloxy-7,16-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14,16,18,20,23,26,28,31,33,35,37,39,41,43,45-henicosaen-10-yl)oxy]silane) (CID 166436644) is triethyl-[[10,13,22,25,38,41,50-heptakis(triethylsilyloxy)-53-tridecacyclo[52.2.2.26,9.210,13.214,17.218,21.222,25.226,29.234,37.238,41.242,45.246,49.250,53]octaconta-1(57),6,8,11,14,16,18,20,23,26,28,34(68),35,37(67),39,42(64),43,45(63),46(62),47,49(61),51,54(58),55,59,65,69,71,73,75,77,79-dotriacontaen-2,4,30,32-tetraynyl]oxy]silane;bis(triethyl-[(1,22,25,30-tetramethoxy-13-triethylsilyloxy-7,16-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14,16,18,20,23,26,28,31,33,35,37,39,41,43,45-henicosaen-10-yl)oxy]silane).

What is the SMILES notation for triethyl-[[10,13,22,25,38,41,50-heptakis(triethylsilyloxy)-53-tridecacyclo[52.2.2.26,9.210,13.214,17.218,21.222,25.226,29.234,37.238,41.242,45.246,49.250,53]octaconta-1(57),6,8,11,14,16,18,20,23,26,28,34(68),35,37(67),39,42(64),43,45(63),46(62),47,49(61),51,54(58),55,59,65,69,71,73,75,77,79-dotriacontaen-2,4,30,32-tetraynyl]oxy]silane;bis(triethyl-[(1,22,25,30-tetramethoxy-13-triethylsilyloxy-7,16-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14,16,18,20,23,26,28,31,33,35,37,39,41,43,45-henicosaen-10-yl)oxy]silane)?

The canonical SMILES for triethyl-[[10,13,22,25,38,41,50-heptakis(triethylsilyloxy)-53-tridecacyclo[52.2.2.26,9.210,13.214,17.218,21.222,25.226,29.234,37.238,41.242,45.246,49.250,53]octaconta-1(57),6,8,11,14,16,18,20,23,26,28,34(68),35,37(67),39,42(64),43,45(63),46(62),47,49(61),51,54(58),55,59,65,69,71,73,75,77,79-dotriacontaen-2,4,30,32-tetraynyl]oxy]silane;bis(triethyl-[(1,22,25,30-tetramethoxy-13-triethylsilyloxy-7,16-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14,16,18,20,23,26,28,31,33,35,37,39,41,43,45-henicosaen-10-yl)oxy]silane) is CC[Si](CC)(CC)OC12C=CC(O[Si](CC)(CC)CC)(C=C1)c1ccc(cc1)-c1ccc(cc1)C1(O[Si](CC)(CC)CC)C=CC(O[Si](CC)(CC)CC)(C=C1)c1ccc(cc1)C#CC#Cc1ccc(cc1)C1(O[Si](CC)(CC)CC)C=CC(O[Si](CC)(CC)CC)(C=C1)c1ccc(cc1)-c1ccc(cc1)C1(O[Si](CC)(CC)CC)C=CC(O[Si](CC)(CC)CC)(C=C1)c1ccc(cc1)C#CC#Cc1ccc2cc1.CC[Si](CC)(CC)OC12C=CC(O[Si](CC)(CC)CC)(C=C1)c1ccc(nc1)-c1ccc(cc1)C1(OC)C=CC(OC)(C=C1)c1ccc(cc1)C1(OC)C=CC(OC)(C=C1)c1ccc(cc1)-c1ccc2cn1.CC[Si](CC)(CC)OC12C=CC(O[Si](CC)(CC)CC)(C=C1)c1ccc(nc1)-c1ccc(cc1)C1(OC)C=CC(OC)(C=C1)c1ccc(cc1)C1(OC)C=CC(OC)(C=C1)c1ccc(cc1)-c1ccc2cn1.

What is the InChIKey of triethyl-[[10,13,22,25,38,41,50-heptakis(triethylsilyloxy)-53-tridecacyclo[52.2.2.26,9.210,13.214,17.218,21.222,25.226,29.234,37.238,41.242,45.246,49.250,53]octaconta-1(57),6,8,11,14,16,18,20,23,26,28,34(68),35,37(67),39,42(64),43,45(63),46(62),47,49(61),51,54(58),55,59,65,69,71,73,75,77,79-dotriacontaen-2,4,30,32-tetraynyl]oxy]silane;bis(triethyl-[(1,22,25,30-tetramethoxy-13-triethylsilyloxy-7,16-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14,16,18,20,23,26,28,31,33,35,37,39,41,43,45-henicosaen-10-yl)oxy]silane)?

The InChIKey is LHGTYOYXANKKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C128H168O8Si8.2C62H72N2O6Si2/c1-25-137(26-2,27-3)129-121-89-97-125(98-90-121,133-141(37-13,38-14)39-15)117-81-65-109(66-82-117)110-67-83-118(84-68-110)126(134-142(40-16,41-17)42-18)99-91-123(92-100-126,131-139(31-7,32-8)33-9)115-77-61-107(62-78-115)55-51-52-56-108-63-79-116(80-64-108)124(132-140(34-10,35-11)36-12)95-103-128(104-96-124,136-144(46-22,47-23)48-24)120-87-71-112(72-88-120)111-69-85-119(86-70-111)127(135-143(43-19,44-20)45-21)101-93-122(94-102-127,130-138(28-4,29-5)30-6)114-75-59-106(60-76-114)54-50-49-53-105-57-73-113(121)74-58-105;2*1-11-71(12-2,13-3)69-61-41-43-62(44-42-61,70-72(14-4,15-5)16-6)54-30-32-56(64-46-54)48-19-23-50(24-20-48)58(66-8)35-39-60(68-10,40-36-58)52-27-25-51(26-28-52)59(67-9)37-33-57(65-7,34-38-59)49-21-17-47(18-22-49)55-31-29-53(61)45-63-55/h57-104H,25-48H2,1-24H3;2*17-46H,11-16H2,1-10H3.

What are the key properties of triethyl-[[10,13,22,25,38,41,50-heptakis(triethylsilyloxy)-53-tridecacyclo[52.2.2.26,9.210,13.214,17.218,21.222,25.226,29.234,37.238,41.242,45.246,49.250,53]octaconta-1(57),6,8,11,14,16,18,20,23,26,28,34(68),35,37(67),39,42(64),43,45(63),46(62),47,49(61),51,54(58),55,59,65,69,71,73,75,77,79-dotriacontaen-2,4,30,32-tetraynyl]oxy]silane;bis(triethyl-[(1,22,25,30-tetramethoxy-13-triethylsilyloxy-7,16-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14,16,18,20,23,26,28,31,33,35,37,39,41,43,45-henicosaen-10-yl)oxy]silane)?

triethyl-[[10,13,22,25,38,41,50-heptakis(triethylsilyloxy)-53-tridecacyclo[52.2.2.26,9.210,13.214,17.218,21.222,25.226,29.234,37.238,41.242,45.246,49.250,53]octaconta-1(57),6,8,11,14,16,18,20,23,26,28,34(68),35,37(67),39,42(64),43,45(63),46(62),47,49(61),51,54(58),55,59,65,69,71,73,75,77,79-dotriacontaen-2,4,30,32-tetraynyl]oxy]silane;bis(triethyl-[(1,22,25,30-tetramethoxy-13-triethylsilyloxy-7,16-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14,16,18,20,23,26,28,31,33,35,37,39,41,43,45-henicosaen-10-yl)oxy]silane) has a molecular weight of 4054.31 g/mol, XLogP of 63.99, 68 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for triethyl-[[10,13,22,25,38,41,50-heptakis(triethylsilyloxy)-53-tridecacyclo[52.2.2.26,9.210,13.214,17.218,21.222,25.226,29.234,37.238,41.242,45.246,49.250,53]octaconta-1(57),6,8,11,14,16,18,20,23,26,28,34(68),35,37(67),39,42(64),43,45(63),46(62),47,49(61),51,54(58),55,59,65,69,71,73,75,77,79-dotriacontaen-2,4,30,32-tetraynyl]oxy]silane;bis(triethyl-[(1,22,25,30-tetramethoxy-13-triethylsilyloxy-7,16-diazanonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-2(48),3,5(47),6,8,11,14,16,18,20,23,26,28,31,33,35,37,39,41,43,45-henicosaen-10-yl)oxy]silane) is sourced from PubChem (CID 166436644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).