4,24-difluoro-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;23-isocyano-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene-5-carbonitrile;5-phenyl-23-(9-phenylcarbazol-3-yl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5-phenyl-23-triphenylen-2-yl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,9,19,23-tetraphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24-dodecaene

C194H121B5F2N8 — CID 161340565

About 4,24-difluoro-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;23-isocyano-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene-5-carbonitrile;5-phenyl-23-(9-phenylcarbazol-3-yl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5-phenyl-23-triphenylen-2-yl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,9,19,23-tetraphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24-dodecaene

4,24-difluoro-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;23-isocyano-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene-5-carbonitrile;5-phenyl-23-(9-phenylcarbazol-3-yl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5-phenyl-23-triphenylen-2-yl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,9,19,23-tetraphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24-dodecaene (PubChem CID 161340565) has the molecular formula C194H121B5F2N8 and a molecular weight of 2656.21 g/mol. Its IUPAC name is 4,24-difluoro-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;23-isocyano-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene-5-carbonitrile;5-phenyl-23-(9-phenylcarbazol-3-yl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5-phenyl-23-triphenylen-2-yl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,9,19,23-tetraphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24-dodecaene.

Molecular Properties

• Compound Name: 4,24-difluoro-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;23-isocyano-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene-5-carbonitrile;5-phenyl-23-(9-phenylcarbazol-3-yl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5-phenyl-23-triphenylen-2-yl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,9,19,23-tetraphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24-dodecaene
• PubChem CID: 161340565
• Molecular Formula: C194H121B5F2N8
• Molecular Weight: 2656.21 g/mol
• Exact Mass: 2655.01
• IUPAC Name: 4,24-difluoro-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;23-isocyano-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene-5-carbonitrile;5-phenyl-23-(9-phenylcarbazol-3-yl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5-phenyl-23-triphenylen-2-yl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,9,19,23-tetraphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24-dodecaene
• SMILES: Fc1ccc2c(c1)N1B(c3ccccc3-2)c2ccccc2-c2ccc(F)cc21.[C-]#[N+]c1ccc2c(c1)-c1ccccc1B1c3ccccc3-c3cc(C#N)ccc3N12.c1ccc(-c2ccc3c(c2)-c2c(cccc2-c2ccccc2)B2c4cccc(-c5ccccc5)c4-c4cc(-c5ccccc5)ccc4N23)cc1.c1ccc(-c2ccc3c(c2)-c2ccccc2B2c4ccccc4-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4N23)cc1.c1ccc(-c2ccc3c(c2)-c2ccccc2B2c4ccccc4-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc4N23)cc1
• InChI: InChI=1S/C48H31BN2.C48H30BN.C48H32BN.C26H14BN3.C24H14BF2N/c1-3-13-32(14-4-1)33-24-27-47-40(29-33)37-17-7-10-20-43(37)49-44-21-11-8-18-38(44)41-30-35(25-28-48(41)51(47)49)34-23-26-46-42(31-34)39-19-9-12-22-45(39)50(46)36-15-5-2-6-16-36;1-2-12-31(13-3-1)32-23-26-47-43(29-32)40-18-8-10-20-45(40)49-46-21-11-9-19-41(46)44-30-34(24-27-48(44)50(47)49)33-22-25-39-37-16-5-4-14-35(37)36-15-6-7-17-38(36)42(39)28-33;1-5-15-33(16-6-1)37-27-29-45-41(31-37)47-39(35-19-9-3-10-20-35)23-13-25-43(47)49-44-26-14-24-40(36-21-11-4-12-22-36)48(44)42-32-38(28-30-46(42)50(45)49)34-17-7-2-8-18-34;1-29-18-11-13-26-22(15-18)20-7-3-5-9-24(20)27-23-8-4-2-6-19(23)21-14-17(16-28)10-12-25(21)30(26)27;26-15-9-11-19-17-5-1-3-7-21(17)25-22-8-4-2-6-18(22)20-12-10-16(27)14-24(20)28(25)23(19)13-15/h1-31H;1-30H;1-32H;2-15H;1-14H
• InChIKey: VMPLSXVISXEANF-UHFFFAOYSA-N
• XLogP: 43.55
• TPSA: 49.28 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2656.21
LogP ≤ 5	43.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4,24-difluoro-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;23-isocyano-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene-5-carbonitrile;5-phenyl-23-(9-phenylcarbazol-3-yl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5-phenyl-23-triphenylen-2-yl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,9,19,23-tetraphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24-dodecaene?

The IUPAC name of 4,24-difluoro-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;23-isocyano-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene-5-carbonitrile;5-phenyl-23-(9-phenylcarbazol-3-yl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5-phenyl-23-triphenylen-2-yl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,9,19,23-tetraphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24-dodecaene (CID 161340565) is 4,24-difluoro-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;23-isocyano-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene-5-carbonitrile;5-phenyl-23-(9-phenylcarbazol-3-yl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5-phenyl-23-triphenylen-2-yl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,9,19,23-tetraphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24-dodecaene.

What is the SMILES notation for 4,24-difluoro-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;23-isocyano-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene-5-carbonitrile;5-phenyl-23-(9-phenylcarbazol-3-yl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5-phenyl-23-triphenylen-2-yl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,9,19,23-tetraphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24-dodecaene?

The canonical SMILES for 4,24-difluoro-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;23-isocyano-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene-5-carbonitrile;5-phenyl-23-(9-phenylcarbazol-3-yl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5-phenyl-23-triphenylen-2-yl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,9,19,23-tetraphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24-dodecaene is Fc1ccc2c(c1)N1B(c3ccccc3-2)c2ccccc2-c2ccc(F)cc21.[C-]#[N+]c1ccc2c(c1)-c1ccccc1B1c3ccccc3-c3cc(C#N)ccc3N12.c1ccc(-c2ccc3c(c2)-c2c(cccc2-c2ccccc2)B2c4cccc(-c5ccccc5)c4-c4cc(-c5ccccc5)ccc4N23)cc1.c1ccc(-c2ccc3c(c2)-c2ccccc2B2c4ccccc4-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4N23)cc1.c1ccc(-c2ccc3c(c2)-c2ccccc2B2c4ccccc4-c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc4N23)cc1.

What is the InChIKey of 4,24-difluoro-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;23-isocyano-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene-5-carbonitrile;5-phenyl-23-(9-phenylcarbazol-3-yl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5-phenyl-23-triphenylen-2-yl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,9,19,23-tetraphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24-dodecaene?

The InChIKey is VMPLSXVISXEANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31BN2.C48H30BN.C48H32BN.C26H14BN3.C24H14BF2N/c1-3-13-32(14-4-1)33-24-27-47-40(29-33)37-17-7-10-20-43(37)49-44-21-11-8-18-38(44)41-30-35(25-28-48(41)51(47)49)34-23-26-46-42(31-34)39-19-9-12-22-45(39)50(46)36-15-5-2-6-16-36;1-2-12-31(13-3-1)32-23-26-47-43(29-32)40-18-8-10-20-45(40)49-46-21-11-9-19-41(46)44-30-34(24-27-48(44)50(47)49)33-22-25-39-37-16-5-4-14-35(37)36-15-6-7-17-38(36)42(39)28-33;1-5-15-33(16-6-1)37-27-29-45-41(31-37)47-39(35-19-9-3-10-20-35)23-13-25-43(47)49-44-26-14-24-40(36-21-11-4-12-22-36)48(44)42-32-38(28-30-46(42)50(45)49)34-17-7-2-8-18-34;1-29-18-11-13-26-22(15-18)20-7-3-5-9-24(20)27-23-8-4-2-6-19(23)21-14-17(16-28)10-12-25(21)30(26)27;26-15-9-11-19-17-5-1-3-7-21(17)25-22-8-4-2-6-18(22)20-12-10-16(27)14-24(20)28(25)23(19)13-15/h1-31H;1-30H;1-32H;2-15H;1-14H.

What are the key properties of 4,24-difluoro-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;23-isocyano-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene-5-carbonitrile;5-phenyl-23-(9-phenylcarbazol-3-yl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5-phenyl-23-triphenylen-2-yl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,9,19,23-tetraphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24-dodecaene?

4,24-difluoro-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;23-isocyano-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene-5-carbonitrile;5-phenyl-23-(9-phenylcarbazol-3-yl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5-phenyl-23-triphenylen-2-yl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,9,19,23-tetraphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24-dodecaene has a molecular weight of 2656.21 g/mol, XLogP of 43.55, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4,24-difluoro-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;23-isocyano-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene-5-carbonitrile;5-phenyl-23-(9-phenylcarbazol-3-yl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5-phenyl-23-triphenylen-2-yl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;5,9,19,23-tetraphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15(20),16,18,21(26),22,24-dodecaene is sourced from PubChem (CID 161340565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).