23-carbazol-9-yl-N,N,5,16-tetraphenyl-26-(3-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-pentadecaen-29-amine

C78H51BN4 — CID 168748085

About 23-carbazol-9-yl-N,N,5,16-tetraphenyl-26-(3-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-pentadecaen-29-amine

23-carbazol-9-yl-N,N,5,16-tetraphenyl-26-(3-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-pentadecaen-29-amine (PubChem CID 168748085) has the molecular formula C78H51BN4 and a molecular weight of 1055.11 g/mol. Its IUPAC name is 23-carbazol-9-yl-N,N,5,16-tetraphenyl-26-(3-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-pentadecaen-29-amine.

Molecular Properties

• Compound Name: 23-carbazol-9-yl-N,N,5,16-tetraphenyl-26-(3-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-pentadecaen-29-amine
• PubChem CID: 168748085
• Molecular Formula: C78H51BN4
• Molecular Weight: 1055.11 g/mol
• Exact Mass: 1054.42
• IUPAC Name: 23-carbazol-9-yl-N,N,5,16-tetraphenyl-26-(3-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-pentadecaen-29-amine
• SMILES: c1ccc(-c2cccc(N3c4cc(-n5c6ccccc6c6ccccc65)ccc4B4c5cc(-c6ccccc6)cc6c5N(c5ccc(-c7ccccc7)cc5-c5ccccc5-6)c5cc(N(c6ccccc6)c6ccccc6)cc3c54)c2)cc1
• InChI: InChI=1S/C78H51BN4/c1-6-23-52(24-7-1)55-29-22-34-60(45-55)82-74-49-61(81-71-39-20-18-37-65(71)66-38-19-21-40-72(66)81)42-43-69(74)79-70-48-57(54-27-10-3-11-28-54)47-68-64-36-17-16-35-63(64)67-46-56(53-25-8-2-9-26-53)41-44-73(67)83(78(68)70)76-51-62(50-75(82)77(76)79)80(58-30-12-4-13-31-58)59-32-14-5-15-33-59/h1-51H
• InChIKey: LHDVTIFCHHEMOL-UHFFFAOYSA-N
• XLogP: 18.98
• TPSA: 14.65 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1055.11
LogP ≤ 5	18.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 23-carbazol-9-yl-N,N,5,16-tetraphenyl-26-(3-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-pentadecaen-29-amine?

The IUPAC name of 23-carbazol-9-yl-N,N,5,16-tetraphenyl-26-(3-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-pentadecaen-29-amine (CID 168748085) is 23-carbazol-9-yl-N,N,5,16-tetraphenyl-26-(3-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-pentadecaen-29-amine.

What is the SMILES notation for 23-carbazol-9-yl-N,N,5,16-tetraphenyl-26-(3-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-pentadecaen-29-amine?

The canonical SMILES for 23-carbazol-9-yl-N,N,5,16-tetraphenyl-26-(3-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-pentadecaen-29-amine is c1ccc(-c2cccc(N3c4cc(-n5c6ccccc6c6ccccc65)ccc4B4c5cc(-c6ccccc6)cc6c5N(c5ccc(-c7ccccc7)cc5-c5ccccc5-6)c5cc(N(c6ccccc6)c6ccccc6)cc3c54)c2)cc1.

What is the InChIKey of 23-carbazol-9-yl-N,N,5,16-tetraphenyl-26-(3-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-pentadecaen-29-amine?

The InChIKey is LHDVTIFCHHEMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H51BN4/c1-6-23-52(24-7-1)55-29-22-34-60(45-55)82-74-49-61(81-71-39-20-18-37-65(71)66-38-19-21-40-72(66)81)42-43-69(74)79-70-48-57(54-27-10-3-11-28-54)47-68-64-36-17-16-35-63(64)67-46-56(53-25-8-2-9-26-53)41-44-73(67)83(78(68)70)76-51-62(50-75(82)77(76)79)80(58-30-12-4-13-31-58)59-32-14-5-15-33-59/h1-51H.

What are the key properties of 23-carbazol-9-yl-N,N,5,16-tetraphenyl-26-(3-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-pentadecaen-29-amine?

23-carbazol-9-yl-N,N,5,16-tetraphenyl-26-(3-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-pentadecaen-29-amine has a molecular weight of 1055.11 g/mol, XLogP of 18.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 23-carbazol-9-yl-N,N,5,16-tetraphenyl-26-(3-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-pentadecaen-29-amine is sourced from PubChem (CID 168748085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).