23-carbazol-9-yl-20,26-bis(4-phenylphenyl)-16,20,26,30-tetraza-1-boratridecacyclo[23.19.1.15,9.130,37.02,19.04,17.010,15.021,45.027,44.029,42.031,36.016,47.041,46]heptatetraconta-2,4(17),5,7,9(47),10,12,14,18,21(45),22,24,27,31,33,35,37(46),38,40,43-icosaene

C78H48BN5 — CID 167382532

About 23-carbazol-9-yl-20,26-bis(4-phenylphenyl)-16,20,26,30-tetraza-1-boratridecacyclo[23.19.1.15,9.130,37.02,19.04,17.010,15.021,45.027,44.029,42.031,36.016,47.041,46]heptatetraconta-2,4(17),5,7,9(47),10,12,14,18,21(45),22,24,27,31,33,35,37(46),38,40,43-icosaene

23-carbazol-9-yl-20,26-bis(4-phenylphenyl)-16,20,26,30-tetraza-1-boratridecacyclo[23.19.1.15,9.130,37.02,19.04,17.010,15.021,45.027,44.029,42.031,36.016,47.041,46]heptatetraconta-2,4(17),5,7,9(47),10,12,14,18,21(45),22,24,27,31,33,35,37(46),38,40,43-icosaene (PubChem CID 167382532) has the molecular formula C78H48BN5 and a molecular weight of 1066.09 g/mol. Its IUPAC name is 23-carbazol-9-yl-20,26-bis(4-phenylphenyl)-16,20,26,30-tetraza-1-boratridecacyclo[23.19.1.15,9.130,37.02,19.04,17.010,15.021,45.027,44.029,42.031,36.016,47.041,46]heptatetraconta-2,4(17),5,7,9(47),10,12,14,18,21(45),22,24,27,31,33,35,37(46),38,40,43-icosaene.

Molecular Properties

• Compound Name: 23-carbazol-9-yl-20,26-bis(4-phenylphenyl)-16,20,26,30-tetraza-1-boratridecacyclo[23.19.1.15,9.130,37.02,19.04,17.010,15.021,45.027,44.029,42.031,36.016,47.041,46]heptatetraconta-2,4(17),5,7,9(47),10,12,14,18,21(45),22,24,27,31,33,35,37(46),38,40,43-icosaene
• PubChem CID: 167382532
• Molecular Formula: C78H48BN5
• Molecular Weight: 1066.09 g/mol
• Exact Mass: 1065.40
• IUPAC Name: 23-carbazol-9-yl-20,26-bis(4-phenylphenyl)-16,20,26,30-tetraza-1-boratridecacyclo[23.19.1.15,9.130,37.02,19.04,17.010,15.021,45.027,44.029,42.031,36.016,47.041,46]heptatetraconta-2,4(17),5,7,9(47),10,12,14,18,21(45),22,24,27,31,33,35,37(46),38,40,43-icosaene
• SMILES: C1=C2B3c4cc5c6cccc7c8ccccc8n(c5cc4N(c4ccc(-c5ccccc5)cc4)c4cc(-n5c8ccccc8c8ccccc85)cc(c43)N(c3ccc(-c4ccccc4)cc3)C2=CC2C1c1cccc3c4ccccc4n2c13)c76
• InChI: InChI=1S/C78H48BN5/c1-3-17-47(18-4-1)49-33-37-51(38-34-49)80-72-45-70-62(60-27-15-25-58-56-23-9-13-31-68(56)83(70)77(58)60)43-64(72)79-65-44-63-61-28-16-26-59-57-24-10-14-32-69(57)84(78(59)61)71(63)46-73(65)81(52-39-35-50(36-40-52)48-19-5-2-6-20-48)75-42-53(41-74(80)76(75)79)82-66-29-11-7-21-54(66)55-22-8-12-30-67(55)82/h1-46,62,70H
• InChIKey: QIFOPVKDPVFHSR-UHFFFAOYSA-N
• XLogP: 18.62
• TPSA: 20.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1066.09
LogP ≤ 5	18.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-20,26-bis(4-phenylphenyl)-16,20,26,30-tetraza-1-boratridecacyclo[23.19.1.15,9.130,37.02,19.04,17.010,15.021,45.027,44.029,42.031,36.016,47.041,46]heptatetraconta-2,4(17),5,7,9(47),10,12,14,18,21(45),22,24,27,31,33,35,37(46),38,40,43-icosaene?

The IUPAC name of 23-carbazol-9-yl-20,26-bis(4-phenylphenyl)-16,20,26,30-tetraza-1-boratridecacyclo[23.19.1.15,9.130,37.02,19.04,17.010,15.021,45.027,44.029,42.031,36.016,47.041,46]heptatetraconta-2,4(17),5,7,9(47),10,12,14,18,21(45),22,24,27,31,33,35,37(46),38,40,43-icosaene (CID 167382532) is 23-carbazol-9-yl-20,26-bis(4-phenylphenyl)-16,20,26,30-tetraza-1-boratridecacyclo[23.19.1.15,9.130,37.02,19.04,17.010,15.021,45.027,44.029,42.031,36.016,47.041,46]heptatetraconta-2,4(17),5,7,9(47),10,12,14,18,21(45),22,24,27,31,33,35,37(46),38,40,43-icosaene.

What is the SMILES notation for 23-carbazol-9-yl-20,26-bis(4-phenylphenyl)-16,20,26,30-tetraza-1-boratridecacyclo[23.19.1.15,9.130,37.02,19.04,17.010,15.021,45.027,44.029,42.031,36.016,47.041,46]heptatetraconta-2,4(17),5,7,9(47),10,12,14,18,21(45),22,24,27,31,33,35,37(46),38,40,43-icosaene?

The canonical SMILES for 23-carbazol-9-yl-20,26-bis(4-phenylphenyl)-16,20,26,30-tetraza-1-boratridecacyclo[23.19.1.15,9.130,37.02,19.04,17.010,15.021,45.027,44.029,42.031,36.016,47.041,46]heptatetraconta-2,4(17),5,7,9(47),10,12,14,18,21(45),22,24,27,31,33,35,37(46),38,40,43-icosaene is C1=C2B3c4cc5c6cccc7c8ccccc8n(c5cc4N(c4ccc(-c5ccccc5)cc4)c4cc(-n5c8ccccc8c8ccccc85)cc(c43)N(c3ccc(-c4ccccc4)cc3)C2=CC2C1c1cccc3c4ccccc4n2c13)c76.

What is the InChIKey of 23-carbazol-9-yl-20,26-bis(4-phenylphenyl)-16,20,26,30-tetraza-1-boratridecacyclo[23.19.1.15,9.130,37.02,19.04,17.010,15.021,45.027,44.029,42.031,36.016,47.041,46]heptatetraconta-2,4(17),5,7,9(47),10,12,14,18,21(45),22,24,27,31,33,35,37(46),38,40,43-icosaene?

The InChIKey is QIFOPVKDPVFHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H48BN5/c1-3-17-47(18-4-1)49-33-37-51(38-34-49)80-72-45-70-62(60-27-15-25-58-56-23-9-13-31-68(56)83(70)77(58)60)43-64(72)79-65-44-63-61-28-16-26-59-57-24-10-14-32-69(57)84(78(59)61)71(63)46-73(65)81(52-39-35-50(36-40-52)48-19-5-2-6-20-48)75-42-53(41-74(80)76(75)79)82-66-29-11-7-21-54(66)55-22-8-12-30-67(55)82/h1-46,62,70H.

What are the key properties of 23-carbazol-9-yl-20,26-bis(4-phenylphenyl)-16,20,26,30-tetraza-1-boratridecacyclo[23.19.1.15,9.130,37.02,19.04,17.010,15.021,45.027,44.029,42.031,36.016,47.041,46]heptatetraconta-2,4(17),5,7,9(47),10,12,14,18,21(45),22,24,27,31,33,35,37(46),38,40,43-icosaene?

23-carbazol-9-yl-20,26-bis(4-phenylphenyl)-16,20,26,30-tetraza-1-boratridecacyclo[23.19.1.15,9.130,37.02,19.04,17.010,15.021,45.027,44.029,42.031,36.016,47.041,46]heptatetraconta-2,4(17),5,7,9(47),10,12,14,18,21(45),22,24,27,31,33,35,37(46),38,40,43-icosaene has a molecular weight of 1066.09 g/mol, XLogP of 18.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 23-carbazol-9-yl-20,26-bis(4-phenylphenyl)-16,20,26,30-tetraza-1-boratridecacyclo[23.19.1.15,9.130,37.02,19.04,17.010,15.021,45.027,44.029,42.031,36.016,47.041,46]heptatetraconta-2,4(17),5,7,9(47),10,12,14,18,21(45),22,24,27,31,33,35,37(46),38,40,43-icosaene is sourced from PubChem (CID 167382532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).