11-carbazol-9-yl-16-(2,3-dihydrocarbazol-9-yl)-1,7,26-triaza-19,33-diboratetradecacyclo[32.10.1.12,6.17,14.03,33.04,26.05,19.08,13.020,25.024,28.027,32.038,45.039,44.018,46]heptatetraconta-2(47),3,5,8(13),9,11,14(46),15,17,20(25),21,23,27(32),28,30,34(45),35,37,39,41,43-henicosaene

C66H37B2N5 — CID 174026168

About 11-carbazol-9-yl-16-(2,3-dihydrocarbazol-9-yl)-1,7,26-triaza-19,33-diboratetradecacyclo[32.10.1.12,6.17,14.03,33.04,26.05,19.08,13.020,25.024,28.027,32.038,45.039,44.018,46]heptatetraconta-2(47),3,5,8(13),9,11,14(46),15,17,20(25),21,23,27(32),28,30,34(45),35,37,39,41,43-henicosaene

11-carbazol-9-yl-16-(2,3-dihydrocarbazol-9-yl)-1,7,26-triaza-19,33-diboratetradecacyclo[32.10.1.12,6.17,14.03,33.04,26.05,19.08,13.020,25.024,28.027,32.038,45.039,44.018,46]heptatetraconta-2(47),3,5,8(13),9,11,14(46),15,17,20(25),21,23,27(32),28,30,34(45),35,37,39,41,43-henicosaene (PubChem CID 174026168) has the molecular formula C66H37B2N5 and a molecular weight of 921.68 g/mol. Its IUPAC name is 11-carbazol-9-yl-16-(2,3-dihydrocarbazol-9-yl)-1,7,26-triaza-19,33-diboratetradecacyclo[32.10.1.12,6.17,14.03,33.04,26.05,19.08,13.020,25.024,28.027,32.038,45.039,44.018,46]heptatetraconta-2(47),3,5,8(13),9,11,14(46),15,17,20(25),21,23,27(32),28,30,34(45),35,37,39,41,43-henicosaene.

Molecular Properties

• Compound Name: 11-carbazol-9-yl-16-(2,3-dihydrocarbazol-9-yl)-1,7,26-triaza-19,33-diboratetradecacyclo[32.10.1.12,6.17,14.03,33.04,26.05,19.08,13.020,25.024,28.027,32.038,45.039,44.018,46]heptatetraconta-2(47),3,5,8(13),9,11,14(46),15,17,20(25),21,23,27(32),28,30,34(45),35,37,39,41,43-henicosaene
• PubChem CID: 174026168
• Molecular Formula: C66H37B2N5
• Molecular Weight: 921.68 g/mol
• Exact Mass: 921.32
• IUPAC Name: 11-carbazol-9-yl-16-(2,3-dihydrocarbazol-9-yl)-1,7,26-triaza-19,33-diboratetradecacyclo[32.10.1.12,6.17,14.03,33.04,26.05,19.08,13.020,25.024,28.027,32.038,45.039,44.018,46]heptatetraconta-2(47),3,5,8(13),9,11,14(46),15,17,20(25),21,23,27(32),28,30,34(45),35,37,39,41,43-henicosaene
• SMILES: C1=c2c(n(-c3cc4c5c(c3)c3cc(-n6c7ccccc7c7ccccc76)ccc3n5-c3cc5c6c7c3B4c3cccc4c8cccc(c8n-7c34)B6c3cccc4c6ccccc6n-5c34)c3ccccc23)=CCC1
• InChI: InChI=1S/C66H37B2N5/c1-6-25-52-38(14-1)39-15-2-7-26-53(39)69(52)36-30-31-57-46(32-36)47-33-37(70-54-27-8-3-16-40(54)41-17-4-9-28-55(41)70)34-51-65(47)72(57)59-35-58-60-66-61(59)68(51)50-24-13-21-45-44-20-12-23-49(63(44)73(66)64(45)50)67(60)48-22-11-19-43-42-18-5-10-29-56(42)71(58)62(43)48/h1-3,5-8,10-35H,4,9H2
• InChIKey: LYHIQFZUHJYRHC-UHFFFAOYSA-N
• XLogP: 9.66
• TPSA: 24.65 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	921.68
LogP ≤ 5	9.66
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 11-carbazol-9-yl-16-(2,3-dihydrocarbazol-9-yl)-1,7,26-triaza-19,33-diboratetradecacyclo[32.10.1.12,6.17,14.03,33.04,26.05,19.08,13.020,25.024,28.027,32.038,45.039,44.018,46]heptatetraconta-2(47),3,5,8(13),9,11,14(46),15,17,20(25),21,23,27(32),28,30,34(45),35,37,39,41,43-henicosaene?

The IUPAC name of 11-carbazol-9-yl-16-(2,3-dihydrocarbazol-9-yl)-1,7,26-triaza-19,33-diboratetradecacyclo[32.10.1.12,6.17,14.03,33.04,26.05,19.08,13.020,25.024,28.027,32.038,45.039,44.018,46]heptatetraconta-2(47),3,5,8(13),9,11,14(46),15,17,20(25),21,23,27(32),28,30,34(45),35,37,39,41,43-henicosaene (CID 174026168) is 11-carbazol-9-yl-16-(2,3-dihydrocarbazol-9-yl)-1,7,26-triaza-19,33-diboratetradecacyclo[32.10.1.12,6.17,14.03,33.04,26.05,19.08,13.020,25.024,28.027,32.038,45.039,44.018,46]heptatetraconta-2(47),3,5,8(13),9,11,14(46),15,17,20(25),21,23,27(32),28,30,34(45),35,37,39,41,43-henicosaene.

What is the SMILES notation for 11-carbazol-9-yl-16-(2,3-dihydrocarbazol-9-yl)-1,7,26-triaza-19,33-diboratetradecacyclo[32.10.1.12,6.17,14.03,33.04,26.05,19.08,13.020,25.024,28.027,32.038,45.039,44.018,46]heptatetraconta-2(47),3,5,8(13),9,11,14(46),15,17,20(25),21,23,27(32),28,30,34(45),35,37,39,41,43-henicosaene?

The canonical SMILES for 11-carbazol-9-yl-16-(2,3-dihydrocarbazol-9-yl)-1,7,26-triaza-19,33-diboratetradecacyclo[32.10.1.12,6.17,14.03,33.04,26.05,19.08,13.020,25.024,28.027,32.038,45.039,44.018,46]heptatetraconta-2(47),3,5,8(13),9,11,14(46),15,17,20(25),21,23,27(32),28,30,34(45),35,37,39,41,43-henicosaene is C1=c2c(n(-c3cc4c5c(c3)c3cc(-n6c7ccccc7c7ccccc76)ccc3n5-c3cc5c6c7c3B4c3cccc4c8cccc(c8n-7c34)B6c3cccc4c6ccccc6n-5c34)c3ccccc23)=CCC1.

What is the InChIKey of 11-carbazol-9-yl-16-(2,3-dihydrocarbazol-9-yl)-1,7,26-triaza-19,33-diboratetradecacyclo[32.10.1.12,6.17,14.03,33.04,26.05,19.08,13.020,25.024,28.027,32.038,45.039,44.018,46]heptatetraconta-2(47),3,5,8(13),9,11,14(46),15,17,20(25),21,23,27(32),28,30,34(45),35,37,39,41,43-henicosaene?

The InChIKey is LYHIQFZUHJYRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H37B2N5/c1-6-25-52-38(14-1)39-15-2-7-26-53(39)69(52)36-30-31-57-46(32-36)47-33-37(70-54-27-8-3-16-40(54)41-17-4-9-28-55(41)70)34-51-65(47)72(57)59-35-58-60-66-61(59)68(51)50-24-13-21-45-44-20-12-23-49(63(44)73(66)64(45)50)67(60)48-22-11-19-43-42-18-5-10-29-56(42)71(58)62(43)48/h1-3,5-8,10-35H,4,9H2.

What are the key properties of 11-carbazol-9-yl-16-(2,3-dihydrocarbazol-9-yl)-1,7,26-triaza-19,33-diboratetradecacyclo[32.10.1.12,6.17,14.03,33.04,26.05,19.08,13.020,25.024,28.027,32.038,45.039,44.018,46]heptatetraconta-2(47),3,5,8(13),9,11,14(46),15,17,20(25),21,23,27(32),28,30,34(45),35,37,39,41,43-henicosaene?

11-carbazol-9-yl-16-(2,3-dihydrocarbazol-9-yl)-1,7,26-triaza-19,33-diboratetradecacyclo[32.10.1.12,6.17,14.03,33.04,26.05,19.08,13.020,25.024,28.027,32.038,45.039,44.018,46]heptatetraconta-2(47),3,5,8(13),9,11,14(46),15,17,20(25),21,23,27(32),28,30,34(45),35,37,39,41,43-henicosaene has a molecular weight of 921.68 g/mol, XLogP of 9.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-carbazol-9-yl-16-(2,3-dihydrocarbazol-9-yl)-1,7,26-triaza-19,33-diboratetradecacyclo[32.10.1.12,6.17,14.03,33.04,26.05,19.08,13.020,25.024,28.027,32.038,45.039,44.018,46]heptatetraconta-2(47),3,5,8(13),9,11,14(46),15,17,20(25),21,23,27(32),28,30,34(45),35,37,39,41,43-henicosaene is sourced from PubChem (CID 174026168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).