[32-(2,6-dimethylphenyl)-22,28-bis(2-methylphenyl)-15,25-bis(triphenylsilyl)-12,18,38-trioxa-22,28,32-triaza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaen-35-yl]-triphenylsilane

C118H86B3N3O3Si3 — CID 162713416

About [32-(2,6-dimethylphenyl)-22,28-bis(2-methylphenyl)-15,25-bis(triphenylsilyl)-12,18,38-trioxa-22,28,32-triaza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaen-35-yl]-triphenylsilane

[32-(2,6-dimethylphenyl)-22,28-bis(2-methylphenyl)-15,25-bis(triphenylsilyl)-12,18,38-trioxa-22,28,32-triaza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaen-35-yl]-triphenylsilane (PubChem CID 162713416) has the molecular formula C118H86B3N3O3Si3 and a molecular weight of 1710.70 g/mol. Its IUPAC name is [32-(2,6-dimethylphenyl)-22,28-bis(2-methylphenyl)-15,25-bis(triphenylsilyl)-12,18,38-trioxa-22,28,32-triaza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaen-35-yl]-triphenylsilane.

Molecular Properties

• Compound Name: [32-(2,6-dimethylphenyl)-22,28-bis(2-methylphenyl)-15,25-bis(triphenylsilyl)-12,18,38-trioxa-22,28,32-triaza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaen-35-yl]-triphenylsilane
• PubChem CID: 162713416
• Molecular Formula: C118H86B3N3O3Si3
• Molecular Weight: 1710.70 g/mol
• Exact Mass: 1709.63
• IUPAC Name: [32-(2,6-dimethylphenyl)-22,28-bis(2-methylphenyl)-15,25-bis(triphenylsilyl)-12,18,38-trioxa-22,28,32-triaza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaen-35-yl]-triphenylsilane
• SMILES: Cc1ccccc1N1c2cc3c(cc2B2c4cc5c(cc4N(c4ccccc4C)c4cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc1c42)N(c1c(C)cccc1C)c1cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc2c1B5c1ccccc1O2)B1c2ccccc2Oc2cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc(c21)O3
• InChI: InChI=1S/C118H86B3N3O3Si3/c1-79-41-32-36-65-101(79)122-103-77-104-98(119-95-63-34-38-67-109(95)125-112-72-93(71-108(116(112)119)124(104)118-81(3)43-40-44-82(118)4)129(86-51-20-8-21-52-86,87-53-22-9-23-54-87)88-55-24-10-25-56-88)75-97(103)121-99-76-100-111(127-114-74-94(73-113-117(114)120(100)96-64-35-39-68-110(96)126-113)130(89-57-26-11-27-58-89,90-59-28-12-29-60-90)91-61-30-13-31-62-91)78-105(99)123(102-66-37-33-42-80(102)2)107-70-92(69-106(122)115(107)121)128(83-45-14-5-15-46-83,84-47-16-6-17-48-84)85-49-18-7-19-50-85/h5-78H,1-4H3
• InChIKey: AWDICZBOPHBCLT-UHFFFAOYSA-N
• XLogP: 14.27
• TPSA: 37.41 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1710.70
LogP ≤ 5	14.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [32-(2,6-dimethylphenyl)-22,28-bis(2-methylphenyl)-15,25-bis(triphenylsilyl)-12,18,38-trioxa-22,28,32-triaza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaen-35-yl]-triphenylsilane?

The IUPAC name of [32-(2,6-dimethylphenyl)-22,28-bis(2-methylphenyl)-15,25-bis(triphenylsilyl)-12,18,38-trioxa-22,28,32-triaza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaen-35-yl]-triphenylsilane (CID 162713416) is [32-(2,6-dimethylphenyl)-22,28-bis(2-methylphenyl)-15,25-bis(triphenylsilyl)-12,18,38-trioxa-22,28,32-triaza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaen-35-yl]-triphenylsilane.

What is the SMILES notation for [32-(2,6-dimethylphenyl)-22,28-bis(2-methylphenyl)-15,25-bis(triphenylsilyl)-12,18,38-trioxa-22,28,32-triaza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaen-35-yl]-triphenylsilane?

The canonical SMILES for [32-(2,6-dimethylphenyl)-22,28-bis(2-methylphenyl)-15,25-bis(triphenylsilyl)-12,18,38-trioxa-22,28,32-triaza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaen-35-yl]-triphenylsilane is Cc1ccccc1N1c2cc3c(cc2B2c4cc5c(cc4N(c4ccccc4C)c4cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc1c42)N(c1c(C)cccc1C)c1cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc2c1B5c1ccccc1O2)B1c2ccccc2Oc2cc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc(c21)O3.

What is the InChIKey of [32-(2,6-dimethylphenyl)-22,28-bis(2-methylphenyl)-15,25-bis(triphenylsilyl)-12,18,38-trioxa-22,28,32-triaza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaen-35-yl]-triphenylsilane?

The InChIKey is AWDICZBOPHBCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C118H86B3N3O3Si3/c1-79-41-32-36-65-101(79)122-103-77-104-98(119-95-63-34-38-67-109(95)125-112-72-93(71-108(116(112)119)124(104)118-81(3)43-40-44-82(118)4)129(86-51-20-8-21-52-86,87-53-22-9-23-54-87)88-55-24-10-25-56-88)75-97(103)121-99-76-100-111(127-114-74-94(73-113-117(114)120(100)96-64-35-39-68-110(96)126-113)130(89-57-26-11-27-58-89,90-59-28-12-29-60-90)91-61-30-13-31-62-91)78-105(99)123(102-66-37-33-42-80(102)2)107-70-92(69-106(122)115(107)121)128(83-45-14-5-15-46-83,84-47-16-6-17-48-84)85-49-18-7-19-50-85/h5-78H,1-4H3.

What are the key properties of [32-(2,6-dimethylphenyl)-22,28-bis(2-methylphenyl)-15,25-bis(triphenylsilyl)-12,18,38-trioxa-22,28,32-triaza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaen-35-yl]-triphenylsilane?

[32-(2,6-dimethylphenyl)-22,28-bis(2-methylphenyl)-15,25-bis(triphenylsilyl)-12,18,38-trioxa-22,28,32-triaza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaen-35-yl]-triphenylsilane has a molecular weight of 1710.70 g/mol, XLogP of 14.27, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [32-(2,6-dimethylphenyl)-22,28-bis(2-methylphenyl)-15,25-bis(triphenylsilyl)-12,18,38-trioxa-22,28,32-triaza-1,5,45-triboratridecacyclo[25.21.1.15,13.133,37.02,21.04,19.06,11.023,49.029,48.031,46.039,44.017,51.045,50]henpentaconta-2(21),3,6,8,10,13(51),14,16,19,23,25,27(49),29(48),30,33(50),34,36,39,41,43,46-henicosaen-35-yl]-triphenylsilane is sourced from PubChem (CID 162713416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).