15,25-ditert-butyl-12,22,28-tri(triphenylen-2-yl)-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene

C92H65B2N3O — CID 168843435

About 15,25-ditert-butyl-12,22,28-tri(triphenylen-2-yl)-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene

15,25-ditert-butyl-12,22,28-tri(triphenylen-2-yl)-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene (PubChem CID 168843435) has the molecular formula C92H65B2N3O and a molecular weight of 1250.18 g/mol. Its IUPAC name is 15,25-ditert-butyl-12,22,28-tri(triphenylen-2-yl)-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene.

Molecular Properties

• Compound Name: 15,25-ditert-butyl-12,22,28-tri(triphenylen-2-yl)-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene
• PubChem CID: 168843435
• Molecular Formula: C92H65B2N3O
• Molecular Weight: 1250.18 g/mol
• Exact Mass: 1249.53
• IUPAC Name: 15,25-ditert-butyl-12,22,28-tri(triphenylen-2-yl)-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene
• SMILES: CC(C)(C)c1cc2c3c(c1)N(c1ccc4c5ccccc5c5ccccc5c4c1)c1ccccc1B3c1cc3c(cc1O2)N(c1ccc2c4ccccc4c4ccccc4c2c1)c1cc(C(C)(C)C)cc2c1B3c1ccccc1N2c1ccc2c3ccccc3c3ccccc3c2c1
• InChI: InChI=1S/C92H65B2N3O/c1-91(2,3)54-45-84-89-85(46-54)97(58-41-44-73-67-31-12-9-25-61(67)64-28-15-18-34-70(64)76(73)51-58)83-53-87-80(52-79(83)93(89)77-35-19-21-37-81(77)95(84)56-39-42-71-65-29-10-7-23-59(65)62-26-13-16-32-68(62)74(71)49-56)94-78-36-20-22-38-82(78)96(86-47-55(92(4,5)6)48-88(98-87)90(86)94)57-40-43-72-66-30-11-8-24-60(66)63-27-14-17-33-69(63)75(72)50-57/h7-53H,1-6H3
• InChIKey: HRELXJIBEXKLKE-UHFFFAOYSA-N
• XLogP: 21.15
• TPSA: 18.95 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1250.18
LogP ≤ 5	21.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15,25-ditert-butyl-12,22,28-tri(triphenylen-2-yl)-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene?

The IUPAC name of 15,25-ditert-butyl-12,22,28-tri(triphenylen-2-yl)-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene (CID 168843435) is 15,25-ditert-butyl-12,22,28-tri(triphenylen-2-yl)-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene.

What is the SMILES notation for 15,25-ditert-butyl-12,22,28-tri(triphenylen-2-yl)-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene?

The canonical SMILES for 15,25-ditert-butyl-12,22,28-tri(triphenylen-2-yl)-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene is CC(C)(C)c1cc2c3c(c1)N(c1ccc4c5ccccc5c5ccccc5c4c1)c1ccccc1B3c1cc3c(cc1O2)N(c1ccc2c4ccccc4c4ccccc4c2c1)c1cc(C(C)(C)C)cc2c1B3c1ccccc1N2c1ccc2c3ccccc3c3ccccc3c2c1.

What is the InChIKey of 15,25-ditert-butyl-12,22,28-tri(triphenylen-2-yl)-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene?

The InChIKey is HRELXJIBEXKLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H65B2N3O/c1-91(2,3)54-45-84-89-85(46-54)97(58-41-44-73-67-31-12-9-25-61(67)64-28-15-18-34-70(64)76(73)51-58)83-53-87-80(52-79(83)93(89)77-35-19-21-37-81(77)95(84)56-39-42-71-65-29-10-7-23-59(65)62-26-13-16-32-68(62)74(71)49-56)94-78-36-20-22-38-82(78)96(86-47-55(92(4,5)6)48-88(98-87)90(86)94)57-40-43-72-66-30-11-8-24-60(66)63-27-14-17-33-69(63)75(72)50-57/h7-53H,1-6H3.

What are the key properties of 15,25-ditert-butyl-12,22,28-tri(triphenylen-2-yl)-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene?

15,25-ditert-butyl-12,22,28-tri(triphenylen-2-yl)-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene has a molecular weight of 1250.18 g/mol, XLogP of 21.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 15,25-ditert-butyl-12,22,28-tri(triphenylen-2-yl)-18-oxa-12,22,28-triaza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6,8,10,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene is sourced from PubChem (CID 168843435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).