(14,32-dibromo-37-methyl-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),6,8,10,12(42),13,15,17,19,21,24,26,28,30(41),31,33,35(39),36-icosaen-19-yl)-triphenylsilane

C59H34B2Br2Si — CID 174153287

About (14,32-dibromo-37-methyl-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),6,8,10,12(42),13,15,17,19,21,24,26,28,30(41),31,33,35(39),36-icosaen-19-yl)-triphenylsilane

(14,32-dibromo-37-methyl-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),6,8,10,12(42),13,15,17,19,21,24,26,28,30(41),31,33,35(39),36-icosaen-19-yl)-triphenylsilane (PubChem CID 174153287) has the molecular formula C59H34B2Br2Si and a molecular weight of 952.44 g/mol. Its IUPAC name is (14,32-dibromo-37-methyl-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),6,8,10,12(42),13,15,17,19,21,24,26,28,30(41),31,33,35(39),36-icosaen-19-yl)-triphenylsilane.

Molecular Properties

• Compound Name: (14,32-dibromo-37-methyl-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),6,8,10,12(42),13,15,17,19,21,24,26,28,30(41),31,33,35(39),36-icosaen-19-yl)-triphenylsilane
• PubChem CID: 174153287
• Molecular Formula: C59H34B2Br2Si
• Molecular Weight: 952.44 g/mol
• Exact Mass: 950.10
• IUPAC Name: (14,32-dibromo-37-methyl-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),6,8,10,12(42),13,15,17,19,21,24,26,28,30(41),31,33,35(39),36-icosaen-19-yl)-triphenylsilane
• SMILES: Cc1cc2c3c(cc4c([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc5c6c(cc1c3c46)B1c3ccccc3-c3cc(Br)cc-5c31)B1c3ccccc3-c3cc(Br)cc-2c31
• InChI: InChI=1S/C59H34B2Br2Si/c1-33-25-42-46-28-34(62)26-44-39-21-12-14-24-50(39)61(58(44)46)52-31-48-53(64(36-15-5-2-6-16-36,37-17-7-3-8-18-37)38-19-9-4-10-20-38)32-43-47-29-35(63)27-45-40-22-11-13-23-49(40)60(59(45)47)51-30-41(33)56(54(42)52)57(48)55(43)51/h2-32H,1H3
• InChIKey: VYMWHUWWEUCIAU-UHFFFAOYSA-N
• XLogP: 8.75
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	952.44
LogP ≤ 5	8.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

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 (14,32-dibromo-37-methyl-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),6,8,10,12(42),13,15,17,19,21,24,26,28,30(41),31,33,35(39),36-icosaen-19-yl)-triphenylsilane?

The IUPAC name of (14,32-dibromo-37-methyl-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),6,8,10,12(42),13,15,17,19,21,24,26,28,30(41),31,33,35(39),36-icosaen-19-yl)-triphenylsilane (CID 174153287) is (14,32-dibromo-37-methyl-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),6,8,10,12(42),13,15,17,19,21,24,26,28,30(41),31,33,35(39),36-icosaen-19-yl)-triphenylsilane.

What is the SMILES notation for (14,32-dibromo-37-methyl-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),6,8,10,12(42),13,15,17,19,21,24,26,28,30(41),31,33,35(39),36-icosaen-19-yl)-triphenylsilane?

The canonical SMILES for (14,32-dibromo-37-methyl-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),6,8,10,12(42),13,15,17,19,21,24,26,28,30(41),31,33,35(39),36-icosaen-19-yl)-triphenylsilane is Cc1cc2c3c(cc4c([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc5c6c(cc1c3c46)B1c3ccccc3-c3cc(Br)cc-5c31)B1c3ccccc3-c3cc(Br)cc-2c31.

What is the InChIKey of (14,32-dibromo-37-methyl-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),6,8,10,12(42),13,15,17,19,21,24,26,28,30(41),31,33,35(39),36-icosaen-19-yl)-triphenylsilane?

The InChIKey is VYMWHUWWEUCIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H34B2Br2Si/c1-33-25-42-46-28-34(62)26-44-39-21-12-14-24-50(39)61(58(44)46)52-31-48-53(64(36-15-5-2-6-16-36,37-17-7-3-8-18-37)38-19-9-4-10-20-38)32-43-47-29-35(63)27-45-40-22-11-13-23-49(40)60(59(45)47)51-30-41(33)56(54(42)52)57(48)55(43)51/h2-32H,1H3.

What are the key properties of (14,32-dibromo-37-methyl-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),6,8,10,12(42),13,15,17,19,21,24,26,28,30(41),31,33,35(39),36-icosaen-19-yl)-triphenylsilane?

(14,32-dibromo-37-methyl-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),6,8,10,12(42),13,15,17,19,21,24,26,28,30(41),31,33,35(39),36-icosaen-19-yl)-triphenylsilane has a molecular weight of 952.44 g/mol, XLogP of 8.75, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (14,32-dibromo-37-methyl-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),6,8,10,12(42),13,15,17,19,21,24,26,28,30(41),31,33,35(39),36-icosaen-19-yl)-triphenylsilane is sourced from PubChem (CID 174153287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).