triphenyl-(14,27,32-trimethoxy-9,37-dimethyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2,4(40),6(11),7,9,12(42),13,15,17,19,21,24(29),25,27,30,32,34(41),35(39),36-icosaen-19-yl)silane

C63H44B2O3Si — CID 174153346

About triphenyl-(14,27,32-trimethoxy-9,37-dimethyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2,4(40),6(11),7,9,12(42),13,15,17,19,21,24(29),25,27,30,32,34(41),35(39),36-icosaen-19-yl)silane

triphenyl-(14,27,32-trimethoxy-9,37-dimethyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2,4(40),6(11),7,9,12(42),13,15,17,19,21,24(29),25,27,30,32,34(41),35(39),36-icosaen-19-yl)silane (PubChem CID 174153346) has the molecular formula C63H44B2O3Si and a molecular weight of 898.75 g/mol. Its IUPAC name is triphenyl-(14,27,32-trimethoxy-9,37-dimethyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2,4(40),6(11),7,9,12(42),13,15,17,19,21,24(29),25,27,30,32,34(41),35(39),36-icosaen-19-yl)silane.

Molecular Properties

• Compound Name: triphenyl-(14,27,32-trimethoxy-9,37-dimethyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2,4(40),6(11),7,9,12(42),13,15,17,19,21,24(29),25,27,30,32,34(41),35(39),36-icosaen-19-yl)silane
• PubChem CID: 174153346
• Molecular Formula: C63H44B2O3Si
• Molecular Weight: 898.75 g/mol
• Exact Mass: 898.32
• IUPAC Name: triphenyl-(14,27,32-trimethoxy-9,37-dimethyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2,4(40),6(11),7,9,12(42),13,15,17,19,21,24(29),25,27,30,32,34(41),35(39),36-icosaen-19-yl)silane
• SMILES: COc1ccc2c(c1)-c1cc(OC)cc3c1B2c1cc2c([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc4c5c(cc6c(C)cc-3c1c6c25)B1c2ccc(C)cc2-c2cc(OC)cc-4c21
• InChI: InChI=1S/C63H44B2O3Si/c1-35-21-23-53-44(25-35)48-28-38(67-4)31-51-47-34-57(69(40-15-9-6-10-16-40,41-17-11-7-12-18-41)42-19-13-8-14-20-42)52-33-56-58-46(26-36(2)43-32-55(64(53)62(48)51)59(47)61(52)60(43)58)50-30-39(68-5)29-49-45-27-37(66-3)22-24-54(45)65(56)63(49)50/h6-34H,1-5H3
• InChIKey: HXKBDGPBNZBDLF-UHFFFAOYSA-N
• XLogP: 7.56
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	898.75
LogP ≤ 5	7.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of triphenyl-(14,27,32-trimethoxy-9,37-dimethyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2,4(40),6(11),7,9,12(42),13,15,17,19,21,24(29),25,27,30,32,34(41),35(39),36-icosaen-19-yl)silane?

The IUPAC name of triphenyl-(14,27,32-trimethoxy-9,37-dimethyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2,4(40),6(11),7,9,12(42),13,15,17,19,21,24(29),25,27,30,32,34(41),35(39),36-icosaen-19-yl)silane (CID 174153346) is triphenyl-(14,27,32-trimethoxy-9,37-dimethyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2,4(40),6(11),7,9,12(42),13,15,17,19,21,24(29),25,27,30,32,34(41),35(39),36-icosaen-19-yl)silane.

What is the SMILES notation for triphenyl-(14,27,32-trimethoxy-9,37-dimethyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2,4(40),6(11),7,9,12(42),13,15,17,19,21,24(29),25,27,30,32,34(41),35(39),36-icosaen-19-yl)silane?

The canonical SMILES for triphenyl-(14,27,32-trimethoxy-9,37-dimethyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2,4(40),6(11),7,9,12(42),13,15,17,19,21,24(29),25,27,30,32,34(41),35(39),36-icosaen-19-yl)silane is COc1ccc2c(c1)-c1cc(OC)cc3c1B2c1cc2c([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc4c5c(cc6c(C)cc-3c1c6c25)B1c2ccc(C)cc2-c2cc(OC)cc-4c21.

What is the InChIKey of triphenyl-(14,27,32-trimethoxy-9,37-dimethyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2,4(40),6(11),7,9,12(42),13,15,17,19,21,24(29),25,27,30,32,34(41),35(39),36-icosaen-19-yl)silane?

The InChIKey is HXKBDGPBNZBDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44B2O3Si/c1-35-21-23-53-44(25-35)48-28-38(67-4)31-51-47-34-57(69(40-15-9-6-10-16-40,41-17-11-7-12-18-41)42-19-13-8-14-20-42)52-33-56-58-46(26-36(2)43-32-55(64(53)62(48)51)59(47)61(52)60(43)58)50-30-39(68-5)29-49-45-27-37(66-3)22-24-54(45)65(56)63(49)50/h6-34H,1-5H3.

What are the key properties of triphenyl-(14,27,32-trimethoxy-9,37-dimethyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2,4(40),6(11),7,9,12(42),13,15,17,19,21,24(29),25,27,30,32,34(41),35(39),36-icosaen-19-yl)silane?

triphenyl-(14,27,32-trimethoxy-9,37-dimethyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2,4(40),6(11),7,9,12(42),13,15,17,19,21,24(29),25,27,30,32,34(41),35(39),36-icosaen-19-yl)silane has a molecular weight of 898.75 g/mol, XLogP of 7.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-(14,27,32-trimethoxy-9,37-dimethyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2,4(40),6(11),7,9,12(42),13,15,17,19,21,24(29),25,27,30,32,34(41),35(39),36-icosaen-19-yl)silane is sourced from PubChem (CID 174153346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).