23,29-di(carbazol-9-yl)-20-dibenzofuran-4-yl-26-(2,6-diphenylphenyl)-16,20,26-triaza-1-boranonacyclo[19.11.1.15,9.02,19.04,17.010,15.025,33.027,32.016,34]tetratriaconta-2,4(17),5,7,9(34),10,12,14,18,21(33),22,24,27(32),28,30-pentadecaene

C84H50BN5O — CID 167378075

About 23,29-di(carbazol-9-yl)-20-dibenzofuran-4-yl-26-(2,6-diphenylphenyl)-16,20,26-triaza-1-boranonacyclo[19.11.1.15,9.02,19.04,17.010,15.025,33.027,32.016,34]tetratriaconta-2,4(17),5,7,9(34),10,12,14,18,21(33),22,24,27(32),28,30-pentadecaene

23,29-di(carbazol-9-yl)-20-dibenzofuran-4-yl-26-(2,6-diphenylphenyl)-16,20,26-triaza-1-boranonacyclo[19.11.1.15,9.02,19.04,17.010,15.025,33.027,32.016,34]tetratriaconta-2,4(17),5,7,9(34),10,12,14,18,21(33),22,24,27(32),28,30-pentadecaene (PubChem CID 167378075) has the molecular formula C84H50BN5O and a molecular weight of 1156.17 g/mol. Its IUPAC name is 23,29-di(carbazol-9-yl)-20-dibenzofuran-4-yl-26-(2,6-diphenylphenyl)-16,20,26-triaza-1-boranonacyclo[19.11.1.15,9.02,19.04,17.010,15.025,33.027,32.016,34]tetratriaconta-2,4(17),5,7,9(34),10,12,14,18,21(33),22,24,27(32),28,30-pentadecaene.

Molecular Properties

• Compound Name: 23,29-di(carbazol-9-yl)-20-dibenzofuran-4-yl-26-(2,6-diphenylphenyl)-16,20,26-triaza-1-boranonacyclo[19.11.1.15,9.02,19.04,17.010,15.025,33.027,32.016,34]tetratriaconta-2,4(17),5,7,9(34),10,12,14,18,21(33),22,24,27(32),28,30-pentadecaene
• PubChem CID: 167378075
• Molecular Formula: C84H50BN5O
• Molecular Weight: 1156.17 g/mol
• Exact Mass: 1155.41
• IUPAC Name: 23,29-di(carbazol-9-yl)-20-dibenzofuran-4-yl-26-(2,6-diphenylphenyl)-16,20,26-triaza-1-boranonacyclo[19.11.1.15,9.02,19.04,17.010,15.025,33.027,32.016,34]tetratriaconta-2,4(17),5,7,9(34),10,12,14,18,21(33),22,24,27(32),28,30-pentadecaene
• SMILES: c1ccc(-c2cccc(-c3ccccc3)c2N2c3cc(-n4c5ccccc5c5ccccc54)ccc3B3c4cc5c6cccc7c8ccccc8n(c5cc4N(c4cccc5c4oc4ccccc45)c4cc(-n5c8ccccc8c8ccccc85)cc2c43)c76)cc1
• InChI: InChI=1S/C84H50BN5O/c1-3-22-51(23-4-1)55-32-19-33-56(52-24-5-2-6-25-52)82(55)90-76-46-53(86-69-37-13-7-26-57(69)58-27-8-14-38-70(58)86)44-45-67(76)85-68-49-66-64-35-20-34-63-61-30-11-17-41-73(61)89(83(63)64)75(66)50-77(68)88(74-42-21-36-65-62-31-12-18-43-80(62)91-84(65)74)78-47-54(48-79(90)81(78)85)87-71-39-15-9-28-59(71)60-29-10-16-40-72(60)87/h1-50H
• InChIKey: CLWDWCOPXMBUEW-UHFFFAOYSA-N
• XLogP: 20.35
• TPSA: 33.89 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1156.17
LogP ≤ 5	20.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 23,29-di(carbazol-9-yl)-20-dibenzofuran-4-yl-26-(2,6-diphenylphenyl)-16,20,26-triaza-1-boranonacyclo[19.11.1.15,9.02,19.04,17.010,15.025,33.027,32.016,34]tetratriaconta-2,4(17),5,7,9(34),10,12,14,18,21(33),22,24,27(32),28,30-pentadecaene?

The IUPAC name of 23,29-di(carbazol-9-yl)-20-dibenzofuran-4-yl-26-(2,6-diphenylphenyl)-16,20,26-triaza-1-boranonacyclo[19.11.1.15,9.02,19.04,17.010,15.025,33.027,32.016,34]tetratriaconta-2,4(17),5,7,9(34),10,12,14,18,21(33),22,24,27(32),28,30-pentadecaene (CID 167378075) is 23,29-di(carbazol-9-yl)-20-dibenzofuran-4-yl-26-(2,6-diphenylphenyl)-16,20,26-triaza-1-boranonacyclo[19.11.1.15,9.02,19.04,17.010,15.025,33.027,32.016,34]tetratriaconta-2,4(17),5,7,9(34),10,12,14,18,21(33),22,24,27(32),28,30-pentadecaene.

What is the SMILES notation for 23,29-di(carbazol-9-yl)-20-dibenzofuran-4-yl-26-(2,6-diphenylphenyl)-16,20,26-triaza-1-boranonacyclo[19.11.1.15,9.02,19.04,17.010,15.025,33.027,32.016,34]tetratriaconta-2,4(17),5,7,9(34),10,12,14,18,21(33),22,24,27(32),28,30-pentadecaene?

The canonical SMILES for 23,29-di(carbazol-9-yl)-20-dibenzofuran-4-yl-26-(2,6-diphenylphenyl)-16,20,26-triaza-1-boranonacyclo[19.11.1.15,9.02,19.04,17.010,15.025,33.027,32.016,34]tetratriaconta-2,4(17),5,7,9(34),10,12,14,18,21(33),22,24,27(32),28,30-pentadecaene is c1ccc(-c2cccc(-c3ccccc3)c2N2c3cc(-n4c5ccccc5c5ccccc54)ccc3B3c4cc5c6cccc7c8ccccc8n(c5cc4N(c4cccc5c4oc4ccccc45)c4cc(-n5c8ccccc8c8ccccc85)cc2c43)c76)cc1.

What is the InChIKey of 23,29-di(carbazol-9-yl)-20-dibenzofuran-4-yl-26-(2,6-diphenylphenyl)-16,20,26-triaza-1-boranonacyclo[19.11.1.15,9.02,19.04,17.010,15.025,33.027,32.016,34]tetratriaconta-2,4(17),5,7,9(34),10,12,14,18,21(33),22,24,27(32),28,30-pentadecaene?

The InChIKey is CLWDWCOPXMBUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H50BN5O/c1-3-22-51(23-4-1)55-32-19-33-56(52-24-5-2-6-25-52)82(55)90-76-46-53(86-69-37-13-7-26-57(69)58-27-8-14-38-70(58)86)44-45-67(76)85-68-49-66-64-35-20-34-63-61-30-11-17-41-73(61)89(83(63)64)75(66)50-77(68)88(74-42-21-36-65-62-31-12-18-43-80(62)91-84(65)74)78-47-54(48-79(90)81(78)85)87-71-39-15-9-28-59(71)60-29-10-16-40-72(60)87/h1-50H.

What are the key properties of 23,29-di(carbazol-9-yl)-20-dibenzofuran-4-yl-26-(2,6-diphenylphenyl)-16,20,26-triaza-1-boranonacyclo[19.11.1.15,9.02,19.04,17.010,15.025,33.027,32.016,34]tetratriaconta-2,4(17),5,7,9(34),10,12,14,18,21(33),22,24,27(32),28,30-pentadecaene?

23,29-di(carbazol-9-yl)-20-dibenzofuran-4-yl-26-(2,6-diphenylphenyl)-16,20,26-triaza-1-boranonacyclo[19.11.1.15,9.02,19.04,17.010,15.025,33.027,32.016,34]tetratriaconta-2,4(17),5,7,9(34),10,12,14,18,21(33),22,24,27(32),28,30-pentadecaene has a molecular weight of 1156.17 g/mol, XLogP of 20.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 23,29-di(carbazol-9-yl)-20-dibenzofuran-4-yl-26-(2,6-diphenylphenyl)-16,20,26-triaza-1-boranonacyclo[19.11.1.15,9.02,19.04,17.010,15.025,33.027,32.016,34]tetratriaconta-2,4(17),5,7,9(34),10,12,14,18,21(33),22,24,27(32),28,30-pentadecaene is sourced from PubChem (CID 167378075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).