18,25,25,32,32-pentamethyl-21-(9,9,10,10-tetramethylanthracen-2-yl)-15-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-5-oxa-15,21-diaza-1-boranonacyclo[18.15.1.02,14.04,12.06,11.016,36.022,35.024,33.026,31]hexatriaconta-2,4(12),6,8,10,13,16,18,20(36),22,24(33),26,28,30,34-pentadecaene

C75H71BN2O — CID 163446769

About 18,25,25,32,32-pentamethyl-21-(9,9,10,10-tetramethylanthracen-2-yl)-15-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-5-oxa-15,21-diaza-1-boranonacyclo[18.15.1.02,14.04,12.06,11.016,36.022,35.024,33.026,31]hexatriaconta-2,4(12),6,8,10,13,16,18,20(36),22,24(33),26,28,30,34-pentadecaene

18,25,25,32,32-pentamethyl-21-(9,9,10,10-tetramethylanthracen-2-yl)-15-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-5-oxa-15,21-diaza-1-boranonacyclo[18.15.1.02,14.04,12.06,11.016,36.022,35.024,33.026,31]hexatriaconta-2,4(12),6,8,10,13,16,18,20(36),22,24(33),26,28,30,34-pentadecaene (PubChem CID 163446769) has the molecular formula C75H71BN2O and a molecular weight of 1027.22 g/mol. Its IUPAC name is 18,25,25,32,32-pentamethyl-21-(9,9,10,10-tetramethylanthracen-2-yl)-15-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-5-oxa-15,21-diaza-1-boranonacyclo[18.15.1.02,14.04,12.06,11.016,36.022,35.024,33.026,31]hexatriaconta-2,4(12),6,8,10,13,16,18,20(36),22,24(33),26,28,30,34-pentadecaene.

Molecular Properties

• Compound Name: 18,25,25,32,32-pentamethyl-21-(9,9,10,10-tetramethylanthracen-2-yl)-15-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-5-oxa-15,21-diaza-1-boranonacyclo[18.15.1.02,14.04,12.06,11.016,36.022,35.024,33.026,31]hexatriaconta-2,4(12),6,8,10,13,16,18,20(36),22,24(33),26,28,30,34-pentadecaene
• PubChem CID: 163446769
• Molecular Formula: C75H71BN2O
• Molecular Weight: 1027.22 g/mol
• Exact Mass: 1026.57
• IUPAC Name: 18,25,25,32,32-pentamethyl-21-(9,9,10,10-tetramethylanthracen-2-yl)-15-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-5-oxa-15,21-diaza-1-boranonacyclo[18.15.1.02,14.04,12.06,11.016,36.022,35.024,33.026,31]hexatriaconta-2,4(12),6,8,10,13,16,18,20(36),22,24(33),26,28,30,34-pentadecaene
• SMILES: Cc1cc2c3c(c1)N(c1cc4c(cc1-c1ccccc1)C(C)(C)CCC4(C)C)c1cc4c(cc1B3c1cc3c(cc1N2c1ccc2c(c1)C(C)(C)c1ccccc1C2(C)C)C(C)(C)c1ccccc1C3(C)C)oc1ccccc14
• InChI: InChI=1S/C75H71BN2O/c1-44-35-65-69-66(36-44)78(62-41-56-55(70(2,3)33-34-71(56,4)5)38-48(62)45-23-15-14-16-24-45)63-39-49-47-25-17-22-30-67(47)79-68(49)43-61(63)76(69)60-40-58-59(75(12,13)53-29-21-20-28-52(53)74(58,10)11)42-64(60)77(65)46-31-32-54-57(37-46)73(8,9)51-27-19-18-26-50(51)72(54,6)7/h14-32,35-43H,33-34H2,1-13H3
• InChIKey: BDEBDISNKGGFQH-UHFFFAOYSA-N
• XLogP: 17.92
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1027.22
LogP ≤ 5	17.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 18,25,25,32,32-pentamethyl-21-(9,9,10,10-tetramethylanthracen-2-yl)-15-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-5-oxa-15,21-diaza-1-boranonacyclo[18.15.1.02,14.04,12.06,11.016,36.022,35.024,33.026,31]hexatriaconta-2,4(12),6,8,10,13,16,18,20(36),22,24(33),26,28,30,34-pentadecaene?

The IUPAC name of 18,25,25,32,32-pentamethyl-21-(9,9,10,10-tetramethylanthracen-2-yl)-15-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-5-oxa-15,21-diaza-1-boranonacyclo[18.15.1.02,14.04,12.06,11.016,36.022,35.024,33.026,31]hexatriaconta-2,4(12),6,8,10,13,16,18,20(36),22,24(33),26,28,30,34-pentadecaene (CID 163446769) is 18,25,25,32,32-pentamethyl-21-(9,9,10,10-tetramethylanthracen-2-yl)-15-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-5-oxa-15,21-diaza-1-boranonacyclo[18.15.1.02,14.04,12.06,11.016,36.022,35.024,33.026,31]hexatriaconta-2,4(12),6,8,10,13,16,18,20(36),22,24(33),26,28,30,34-pentadecaene.

What is the SMILES notation for 18,25,25,32,32-pentamethyl-21-(9,9,10,10-tetramethylanthracen-2-yl)-15-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-5-oxa-15,21-diaza-1-boranonacyclo[18.15.1.02,14.04,12.06,11.016,36.022,35.024,33.026,31]hexatriaconta-2,4(12),6,8,10,13,16,18,20(36),22,24(33),26,28,30,34-pentadecaene?

The canonical SMILES for 18,25,25,32,32-pentamethyl-21-(9,9,10,10-tetramethylanthracen-2-yl)-15-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-5-oxa-15,21-diaza-1-boranonacyclo[18.15.1.02,14.04,12.06,11.016,36.022,35.024,33.026,31]hexatriaconta-2,4(12),6,8,10,13,16,18,20(36),22,24(33),26,28,30,34-pentadecaene is Cc1cc2c3c(c1)N(c1cc4c(cc1-c1ccccc1)C(C)(C)CCC4(C)C)c1cc4c(cc1B3c1cc3c(cc1N2c1ccc2c(c1)C(C)(C)c1ccccc1C2(C)C)C(C)(C)c1ccccc1C3(C)C)oc1ccccc14.

What is the InChIKey of 18,25,25,32,32-pentamethyl-21-(9,9,10,10-tetramethylanthracen-2-yl)-15-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-5-oxa-15,21-diaza-1-boranonacyclo[18.15.1.02,14.04,12.06,11.016,36.022,35.024,33.026,31]hexatriaconta-2,4(12),6,8,10,13,16,18,20(36),22,24(33),26,28,30,34-pentadecaene?

The InChIKey is BDEBDISNKGGFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H71BN2O/c1-44-35-65-69-66(36-44)78(62-41-56-55(70(2,3)33-34-71(56,4)5)38-48(62)45-23-15-14-16-24-45)63-39-49-47-25-17-22-30-67(47)79-68(49)43-61(63)76(69)60-40-58-59(75(12,13)53-29-21-20-28-52(53)74(58,10)11)42-64(60)77(65)46-31-32-54-57(37-46)73(8,9)51-27-19-18-26-50(51)72(54,6)7/h14-32,35-43H,33-34H2,1-13H3.

What are the key properties of 18,25,25,32,32-pentamethyl-21-(9,9,10,10-tetramethylanthracen-2-yl)-15-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-5-oxa-15,21-diaza-1-boranonacyclo[18.15.1.02,14.04,12.06,11.016,36.022,35.024,33.026,31]hexatriaconta-2,4(12),6,8,10,13,16,18,20(36),22,24(33),26,28,30,34-pentadecaene?

18,25,25,32,32-pentamethyl-21-(9,9,10,10-tetramethylanthracen-2-yl)-15-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-5-oxa-15,21-diaza-1-boranonacyclo[18.15.1.02,14.04,12.06,11.016,36.022,35.024,33.026,31]hexatriaconta-2,4(12),6,8,10,13,16,18,20(36),22,24(33),26,28,30,34-pentadecaene has a molecular weight of 1027.22 g/mol, XLogP of 17.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 18,25,25,32,32-pentamethyl-21-(9,9,10,10-tetramethylanthracen-2-yl)-15-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-5-oxa-15,21-diaza-1-boranonacyclo[18.15.1.02,14.04,12.06,11.016,36.022,35.024,33.026,31]hexatriaconta-2,4(12),6,8,10,13,16,18,20(36),22,24(33),26,28,30,34-pentadecaene is sourced from PubChem (CID 163446769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).