17,17,41,41-tetramethyl-20,26,31,52,54,56-hexakis-phenyl-20,26,31,52,54,56-hexaza-6,45-disilahexadecacyclo[28.22.1.14,8.16,21.143,47.02,28.05,27.07,19.010,18.011,16.032,44.034,42.035,40.045,53.046,51.025,55]hexapentaconta-1(53),2,4,7,9,11,13,15,18,21,23,25(55),27,29,32(44),33,35,37,39,42,46(51),47,49-tricosaene

C88H62N6Si2 — CID 159871363

About 17,17,41,41-tetramethyl-20,26,31,52,54,56-hexakis-phenyl-20,26,31,52,54,56-hexaza-6,45-disilahexadecacyclo[28.22.1.14,8.16,21.143,47.02,28.05,27.07,19.010,18.011,16.032,44.034,42.035,40.045,53.046,51.025,55]hexapentaconta-1(53),2,4,7,9,11,13,15,18,21,23,25(55),27,29,32(44),33,35,37,39,42,46(51),47,49-tricosaene

17,17,41,41-tetramethyl-20,26,31,52,54,56-hexakis-phenyl-20,26,31,52,54,56-hexaza-6,45-disilahexadecacyclo[28.22.1.14,8.16,21.143,47.02,28.05,27.07,19.010,18.011,16.032,44.034,42.035,40.045,53.046,51.025,55]hexapentaconta-1(53),2,4,7,9,11,13,15,18,21,23,25(55),27,29,32(44),33,35,37,39,42,46(51),47,49-tricosaene (PubChem CID 159871363) has the molecular formula C88H62N6Si2 and a molecular weight of 1259.68 g/mol. Its IUPAC name is 17,17,41,41-tetramethyl-20,26,31,52,54,56-hexakis-phenyl-20,26,31,52,54,56-hexaza-6,45-disilahexadecacyclo[28.22.1.14,8.16,21.143,47.02,28.05,27.07,19.010,18.011,16.032,44.034,42.035,40.045,53.046,51.025,55]hexapentaconta-1(53),2,4,7,9,11,13,15,18,21,23,25(55),27,29,32(44),33,35,37,39,42,46(51),47,49-tricosaene.

Molecular Properties

• Compound Name: 17,17,41,41-tetramethyl-20,26,31,52,54,56-hexakis-phenyl-20,26,31,52,54,56-hexaza-6,45-disilahexadecacyclo[28.22.1.14,8.16,21.143,47.02,28.05,27.07,19.010,18.011,16.032,44.034,42.035,40.045,53.046,51.025,55]hexapentaconta-1(53),2,4,7,9,11,13,15,18,21,23,25(55),27,29,32(44),33,35,37,39,42,46(51),47,49-tricosaene
• PubChem CID: 159871363
• Molecular Formula: C88H62N6Si2
• Molecular Weight: 1259.68 g/mol
• Exact Mass: 1258.46
• IUPAC Name: 17,17,41,41-tetramethyl-20,26,31,52,54,56-hexakis-phenyl-20,26,31,52,54,56-hexaza-6,45-disilahexadecacyclo[28.22.1.14,8.16,21.143,47.02,28.05,27.07,19.010,18.011,16.032,44.034,42.035,40.045,53.046,51.025,55]hexapentaconta-1(53),2,4,7,9,11,13,15,18,21,23,25(55),27,29,32(44),33,35,37,39,42,46(51),47,49-tricosaene
• SMILES: CC1(C)c2ccccc2-c2cc3c4c(c21)N(c1ccccc1)c1cccc2c1[SiH]4c1c(cc4c5c6c(cc4c1N2c1ccccc1)N(c1ccccc1)c1cc2c(c4c1[SiH]6c1c(cccc1N5c1ccccc1)N4c1ccccc1)C(C)(C)c1ccccc1-2)N3c1ccccc1
• InChI: InChI=1S/C88H62N6Si2/c1-87(2)65-43-25-23-41-59(65)61-49-71-85-79(75(61)87)93(57-37-19-9-20-38-57)69-47-27-45-67-81(69)95(85)83-73(89(71)53-29-11-5-12-30-53)51-64-63(77(83)91(67)55-33-15-7-16-34-55)52-74-84-78(64)92(56-35-17-8-18-36-56)68-46-28-48-70-82(68)96(84)86-72(90(74)54-31-13-6-14-32-54)50-62-60-42-24-26-44-66(60)88(3,4)76(62)80(86)94(70)58-39-21-10-22-40-58/h5-52,95-96H,1-4H3
• InChIKey: JMZLJXNXPVKIOJ-UHFFFAOYSA-N
• XLogP: 18.65
• TPSA: 19.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1259.68
LogP ≤ 5	18.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 17,17,41,41-tetramethyl-20,26,31,52,54,56-hexakis-phenyl-20,26,31,52,54,56-hexaza-6,45-disilahexadecacyclo[28.22.1.14,8.16,21.143,47.02,28.05,27.07,19.010,18.011,16.032,44.034,42.035,40.045,53.046,51.025,55]hexapentaconta-1(53),2,4,7,9,11,13,15,18,21,23,25(55),27,29,32(44),33,35,37,39,42,46(51),47,49-tricosaene?

The IUPAC name of 17,17,41,41-tetramethyl-20,26,31,52,54,56-hexakis-phenyl-20,26,31,52,54,56-hexaza-6,45-disilahexadecacyclo[28.22.1.14,8.16,21.143,47.02,28.05,27.07,19.010,18.011,16.032,44.034,42.035,40.045,53.046,51.025,55]hexapentaconta-1(53),2,4,7,9,11,13,15,18,21,23,25(55),27,29,32(44),33,35,37,39,42,46(51),47,49-tricosaene (CID 159871363) is 17,17,41,41-tetramethyl-20,26,31,52,54,56-hexakis-phenyl-20,26,31,52,54,56-hexaza-6,45-disilahexadecacyclo[28.22.1.14,8.16,21.143,47.02,28.05,27.07,19.010,18.011,16.032,44.034,42.035,40.045,53.046,51.025,55]hexapentaconta-1(53),2,4,7,9,11,13,15,18,21,23,25(55),27,29,32(44),33,35,37,39,42,46(51),47,49-tricosaene.

What is the SMILES notation for 17,17,41,41-tetramethyl-20,26,31,52,54,56-hexakis-phenyl-20,26,31,52,54,56-hexaza-6,45-disilahexadecacyclo[28.22.1.14,8.16,21.143,47.02,28.05,27.07,19.010,18.011,16.032,44.034,42.035,40.045,53.046,51.025,55]hexapentaconta-1(53),2,4,7,9,11,13,15,18,21,23,25(55),27,29,32(44),33,35,37,39,42,46(51),47,49-tricosaene?

The canonical SMILES for 17,17,41,41-tetramethyl-20,26,31,52,54,56-hexakis-phenyl-20,26,31,52,54,56-hexaza-6,45-disilahexadecacyclo[28.22.1.14,8.16,21.143,47.02,28.05,27.07,19.010,18.011,16.032,44.034,42.035,40.045,53.046,51.025,55]hexapentaconta-1(53),2,4,7,9,11,13,15,18,21,23,25(55),27,29,32(44),33,35,37,39,42,46(51),47,49-tricosaene is CC1(C)c2ccccc2-c2cc3c4c(c21)N(c1ccccc1)c1cccc2c1[SiH]4c1c(cc4c5c6c(cc4c1N2c1ccccc1)N(c1ccccc1)c1cc2c(c4c1[SiH]6c1c(cccc1N5c1ccccc1)N4c1ccccc1)C(C)(C)c1ccccc1-2)N3c1ccccc1.

What is the InChIKey of 17,17,41,41-tetramethyl-20,26,31,52,54,56-hexakis-phenyl-20,26,31,52,54,56-hexaza-6,45-disilahexadecacyclo[28.22.1.14,8.16,21.143,47.02,28.05,27.07,19.010,18.011,16.032,44.034,42.035,40.045,53.046,51.025,55]hexapentaconta-1(53),2,4,7,9,11,13,15,18,21,23,25(55),27,29,32(44),33,35,37,39,42,46(51),47,49-tricosaene?

The InChIKey is JMZLJXNXPVKIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H62N6Si2/c1-87(2)65-43-25-23-41-59(65)61-49-71-85-79(75(61)87)93(57-37-19-9-20-38-57)69-47-27-45-67-81(69)95(85)83-73(89(71)53-29-11-5-12-30-53)51-64-63(77(83)91(67)55-33-15-7-16-34-55)52-74-84-78(64)92(56-35-17-8-18-36-56)68-46-28-48-70-82(68)96(84)86-72(90(74)54-31-13-6-14-32-54)50-62-60-42-24-26-44-66(60)88(3,4)76(62)80(86)94(70)58-39-21-10-22-40-58/h5-52,95-96H,1-4H3.

What are the key properties of 17,17,41,41-tetramethyl-20,26,31,52,54,56-hexakis-phenyl-20,26,31,52,54,56-hexaza-6,45-disilahexadecacyclo[28.22.1.14,8.16,21.143,47.02,28.05,27.07,19.010,18.011,16.032,44.034,42.035,40.045,53.046,51.025,55]hexapentaconta-1(53),2,4,7,9,11,13,15,18,21,23,25(55),27,29,32(44),33,35,37,39,42,46(51),47,49-tricosaene?

17,17,41,41-tetramethyl-20,26,31,52,54,56-hexakis-phenyl-20,26,31,52,54,56-hexaza-6,45-disilahexadecacyclo[28.22.1.14,8.16,21.143,47.02,28.05,27.07,19.010,18.011,16.032,44.034,42.035,40.045,53.046,51.025,55]hexapentaconta-1(53),2,4,7,9,11,13,15,18,21,23,25(55),27,29,32(44),33,35,37,39,42,46(51),47,49-tricosaene has a molecular weight of 1259.68 g/mol, XLogP of 18.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 17,17,41,41-tetramethyl-20,26,31,52,54,56-hexakis-phenyl-20,26,31,52,54,56-hexaza-6,45-disilahexadecacyclo[28.22.1.14,8.16,21.143,47.02,28.05,27.07,19.010,18.011,16.032,44.034,42.035,40.045,53.046,51.025,55]hexapentaconta-1(53),2,4,7,9,11,13,15,18,21,23,25(55),27,29,32(44),33,35,37,39,42,46(51),47,49-tricosaene is sourced from PubChem (CID 159871363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).