29-carbazol-9-yl-5,16,23-triphenyl-26-(4-phenylphenyl)-1,26-diaza-19-boraoctacyclo[16.13.1.119,27.02,7.08,13.014,32.020,25.031,33]tritriaconta-2(7),3,5,8,10,12,14(32),15,17,20(25),21,23,27(33),28,30-pentadecaene

C72H46BN3 — CID 168748175

About 29-carbazol-9-yl-5,16,23-triphenyl-26-(4-phenylphenyl)-1,26-diaza-19-boraoctacyclo[16.13.1.119,27.02,7.08,13.014,32.020,25.031,33]tritriaconta-2(7),3,5,8,10,12,14(32),15,17,20(25),21,23,27(33),28,30-pentadecaene

29-carbazol-9-yl-5,16,23-triphenyl-26-(4-phenylphenyl)-1,26-diaza-19-boraoctacyclo[16.13.1.119,27.02,7.08,13.014,32.020,25.031,33]tritriaconta-2(7),3,5,8,10,12,14(32),15,17,20(25),21,23,27(33),28,30-pentadecaene (PubChem CID 168748175) has the molecular formula C72H46BN3 and a molecular weight of 963.99 g/mol. Its IUPAC name is 29-carbazol-9-yl-5,16,23-triphenyl-26-(4-phenylphenyl)-1,26-diaza-19-boraoctacyclo[16.13.1.119,27.02,7.08,13.014,32.020,25.031,33]tritriaconta-2(7),3,5,8,10,12,14(32),15,17,20(25),21,23,27(33),28,30-pentadecaene.

Molecular Properties

• Compound Name: 29-carbazol-9-yl-5,16,23-triphenyl-26-(4-phenylphenyl)-1,26-diaza-19-boraoctacyclo[16.13.1.119,27.02,7.08,13.014,32.020,25.031,33]tritriaconta-2(7),3,5,8,10,12,14(32),15,17,20(25),21,23,27(33),28,30-pentadecaene
• PubChem CID: 168748175
• Molecular Formula: C72H46BN3
• Molecular Weight: 963.99 g/mol
• Exact Mass: 963.38
• IUPAC Name: 29-carbazol-9-yl-5,16,23-triphenyl-26-(4-phenylphenyl)-1,26-diaza-19-boraoctacyclo[16.13.1.119,27.02,7.08,13.014,32.020,25.031,33]tritriaconta-2(7),3,5,8,10,12,14(32),15,17,20(25),21,23,27(33),28,30-pentadecaene
• SMILES: c1ccc(-c2ccc(N3c4cc(-c5ccccc5)ccc4B4c5cc(-c6ccccc6)cc6c5N(c5ccc(-c7ccccc7)cc5-c5ccccc5-6)c5cc(-n6c7ccccc7c7ccccc76)cc3c54)cc2)cc1
• InChI: InChI=1S/C72H46BN3/c1-5-19-47(20-6-1)51-33-37-55(38-34-51)74-68-44-53(49-23-9-3-10-24-49)35-39-63(68)73-64-43-54(50-25-11-4-12-26-50)42-62-58-28-14-13-27-57(58)61-41-52(48-21-7-2-8-22-48)36-40-67(61)76(72(62)64)70-46-56(45-69(74)71(70)73)75-65-31-17-15-29-59(65)60-30-16-18-32-66(60)75/h1-46H
• InChIKey: XDYOBUGKLZDQNI-UHFFFAOYSA-N
• XLogP: 17.18
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	963.99
LogP ≤ 5	17.18
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 29-carbazol-9-yl-5,16,23-triphenyl-26-(4-phenylphenyl)-1,26-diaza-19-boraoctacyclo[16.13.1.119,27.02,7.08,13.014,32.020,25.031,33]tritriaconta-2(7),3,5,8,10,12,14(32),15,17,20(25),21,23,27(33),28,30-pentadecaene?

The IUPAC name of 29-carbazol-9-yl-5,16,23-triphenyl-26-(4-phenylphenyl)-1,26-diaza-19-boraoctacyclo[16.13.1.119,27.02,7.08,13.014,32.020,25.031,33]tritriaconta-2(7),3,5,8,10,12,14(32),15,17,20(25),21,23,27(33),28,30-pentadecaene (CID 168748175) is 29-carbazol-9-yl-5,16,23-triphenyl-26-(4-phenylphenyl)-1,26-diaza-19-boraoctacyclo[16.13.1.119,27.02,7.08,13.014,32.020,25.031,33]tritriaconta-2(7),3,5,8,10,12,14(32),15,17,20(25),21,23,27(33),28,30-pentadecaene.

What is the SMILES notation for 29-carbazol-9-yl-5,16,23-triphenyl-26-(4-phenylphenyl)-1,26-diaza-19-boraoctacyclo[16.13.1.119,27.02,7.08,13.014,32.020,25.031,33]tritriaconta-2(7),3,5,8,10,12,14(32),15,17,20(25),21,23,27(33),28,30-pentadecaene?

The canonical SMILES for 29-carbazol-9-yl-5,16,23-triphenyl-26-(4-phenylphenyl)-1,26-diaza-19-boraoctacyclo[16.13.1.119,27.02,7.08,13.014,32.020,25.031,33]tritriaconta-2(7),3,5,8,10,12,14(32),15,17,20(25),21,23,27(33),28,30-pentadecaene is c1ccc(-c2ccc(N3c4cc(-c5ccccc5)ccc4B4c5cc(-c6ccccc6)cc6c5N(c5ccc(-c7ccccc7)cc5-c5ccccc5-6)c5cc(-n6c7ccccc7c7ccccc76)cc3c54)cc2)cc1.

What is the InChIKey of 29-carbazol-9-yl-5,16,23-triphenyl-26-(4-phenylphenyl)-1,26-diaza-19-boraoctacyclo[16.13.1.119,27.02,7.08,13.014,32.020,25.031,33]tritriaconta-2(7),3,5,8,10,12,14(32),15,17,20(25),21,23,27(33),28,30-pentadecaene?

The InChIKey is XDYOBUGKLZDQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H46BN3/c1-5-19-47(20-6-1)51-33-37-55(38-34-51)74-68-44-53(49-23-9-3-10-24-49)35-39-63(68)73-64-43-54(50-25-11-4-12-26-50)42-62-58-28-14-13-27-57(58)61-41-52(48-21-7-2-8-22-48)36-40-67(61)76(72(62)64)70-46-56(45-69(74)71(70)73)75-65-31-17-15-29-59(65)60-30-16-18-32-66(60)75/h1-46H.

What are the key properties of 29-carbazol-9-yl-5,16,23-triphenyl-26-(4-phenylphenyl)-1,26-diaza-19-boraoctacyclo[16.13.1.119,27.02,7.08,13.014,32.020,25.031,33]tritriaconta-2(7),3,5,8,10,12,14(32),15,17,20(25),21,23,27(33),28,30-pentadecaene?

29-carbazol-9-yl-5,16,23-triphenyl-26-(4-phenylphenyl)-1,26-diaza-19-boraoctacyclo[16.13.1.119,27.02,7.08,13.014,32.020,25.031,33]tritriaconta-2(7),3,5,8,10,12,14(32),15,17,20(25),21,23,27(33),28,30-pentadecaene has a molecular weight of 963.99 g/mol, XLogP of 17.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 29-carbazol-9-yl-5,16,23-triphenyl-26-(4-phenylphenyl)-1,26-diaza-19-boraoctacyclo[16.13.1.119,27.02,7.08,13.014,32.020,25.031,33]tritriaconta-2(7),3,5,8,10,12,14(32),15,17,20(25),21,23,27(33),28,30-pentadecaene is sourced from PubChem (CID 168748175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).