5,23-diphenyl-11-(4-pyridin-2-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,23-diphenyl-11-(4-pyridin-3-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,23-diphenyl-11-(4-pyridin-4-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;11-(4-pyridin-4-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene

C176H116B4N8 — CID 158545346

About 5,23-diphenyl-11-(4-pyridin-2-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,23-diphenyl-11-(4-pyridin-3-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,23-diphenyl-11-(4-pyridin-4-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;11-(4-pyridin-4-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene

5,23-diphenyl-11-(4-pyridin-2-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,23-diphenyl-11-(4-pyridin-3-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,23-diphenyl-11-(4-pyridin-4-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;11-(4-pyridin-4-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene (PubChem CID 158545346) has the molecular formula C176H116B4N8 and a molecular weight of 2386.17 g/mol. Its IUPAC name is 5,23-diphenyl-11-(4-pyridin-2-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,23-diphenyl-11-(4-pyridin-3-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,23-diphenyl-11-(4-pyridin-4-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;11-(4-pyridin-4-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene.

Molecular Properties

• Compound Name: 5,23-diphenyl-11-(4-pyridin-2-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,23-diphenyl-11-(4-pyridin-3-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,23-diphenyl-11-(4-pyridin-4-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;11-(4-pyridin-4-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene
• PubChem CID: 158545346
• Molecular Formula: C176H116B4N8
• Molecular Weight: 2386.17 g/mol
• Exact Mass: 2384.97
• IUPAC Name: 5,23-diphenyl-11-(4-pyridin-2-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,23-diphenyl-11-(4-pyridin-3-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,23-diphenyl-11-(4-pyridin-4-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;11-(4-pyridin-4-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene
• SMILES: c1ccc(-c2ccc3c(c2)-c2ccccc2B2c4cc(-c5ccc(-c6ccccn6)cc5)ccc4-c4cc(-c5ccccc5)ccc4N23)cc1.c1ccc(-c2ccc3c(c2)-c2ccccc2B2c4cc(-c5ccc(-c6cccnc6)cc5)ccc4-c4cc(-c5ccccc5)ccc4N23)cc1.c1ccc(-c2ccc3c(c2)-c2ccccc2B2c4cc(-c5ccc(-c6ccncc6)cc5)ccc4-c4cc(-c5ccccc5)ccc4N23)cc1.c1ccc2c(c1)B1c3cc(-c4ccc(-c5ccncc5)cc4)ccc3-c3ccccc3N1c1ccccc1-2
• InChI: InChI=1S/3C47H31BN2.C35H23BN2/c1-3-11-32(12-4-1)36-23-26-46-41(29-36)39-15-7-8-16-43(39)48-44-31-38(34-18-20-35(21-19-34)45-17-9-10-28-49-45)22-25-40(44)42-30-37(24-27-47(42)50(46)48)33-13-5-2-6-14-33;1-3-10-32(11-4-1)36-22-25-46-42(28-36)40-15-7-8-16-44(40)48-45-30-38(34-17-19-35(20-18-34)39-14-9-27-49-31-39)21-24-41(45)43-29-37(23-26-47(43)50(46)48)33-12-5-2-6-13-33;1-3-9-32(10-4-1)37-20-23-46-42(29-37)40-13-7-8-14-44(40)48-45-31-39(35-17-15-34(16-18-35)36-25-27-49-28-26-36)19-22-41(45)43-30-38(21-24-47(43)50(46)48)33-11-5-2-6-12-33;1-4-10-32-28(7-1)30-8-2-5-11-34(30)38-35-12-6-3-9-31(35)29-18-17-27(23-33(29)36(32)38)25-15-13-24(14-16-25)26-19-21-37-22-20-26/h3*1-31H;1-23H
• InChIKey: HPARRKDTJWJUHU-UHFFFAOYSA-N
• XLogP: 39.28
• TPSA: 64.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2386.17
LogP ≤ 5	39.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,23-diphenyl-11-(4-pyridin-2-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,23-diphenyl-11-(4-pyridin-3-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,23-diphenyl-11-(4-pyridin-4-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;11-(4-pyridin-4-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene?

The IUPAC name of 5,23-diphenyl-11-(4-pyridin-2-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,23-diphenyl-11-(4-pyridin-3-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,23-diphenyl-11-(4-pyridin-4-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;11-(4-pyridin-4-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene (CID 158545346) is 5,23-diphenyl-11-(4-pyridin-2-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,23-diphenyl-11-(4-pyridin-3-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,23-diphenyl-11-(4-pyridin-4-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;11-(4-pyridin-4-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene.

What is the SMILES notation for 5,23-diphenyl-11-(4-pyridin-2-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,23-diphenyl-11-(4-pyridin-3-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,23-diphenyl-11-(4-pyridin-4-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;11-(4-pyridin-4-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene?

The canonical SMILES for 5,23-diphenyl-11-(4-pyridin-2-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,23-diphenyl-11-(4-pyridin-3-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,23-diphenyl-11-(4-pyridin-4-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;11-(4-pyridin-4-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene is c1ccc(-c2ccc3c(c2)-c2ccccc2B2c4cc(-c5ccc(-c6ccccn6)cc5)ccc4-c4cc(-c5ccccc5)ccc4N23)cc1.c1ccc(-c2ccc3c(c2)-c2ccccc2B2c4cc(-c5ccc(-c6cccnc6)cc5)ccc4-c4cc(-c5ccccc5)ccc4N23)cc1.c1ccc(-c2ccc3c(c2)-c2ccccc2B2c4cc(-c5ccc(-c6ccncc6)cc5)ccc4-c4cc(-c5ccccc5)ccc4N23)cc1.c1ccc2c(c1)B1c3cc(-c4ccc(-c5ccncc5)cc4)ccc3-c3ccccc3N1c1ccccc1-2.

What is the InChIKey of 5,23-diphenyl-11-(4-pyridin-2-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,23-diphenyl-11-(4-pyridin-3-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,23-diphenyl-11-(4-pyridin-4-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;11-(4-pyridin-4-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene?

The InChIKey is HPARRKDTJWJUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C47H31BN2.C35H23BN2/c1-3-11-32(12-4-1)36-23-26-46-41(29-36)39-15-7-8-16-43(39)48-44-31-38(34-18-20-35(21-19-34)45-17-9-10-28-49-45)22-25-40(44)42-30-37(24-27-47(42)50(46)48)33-13-5-2-6-14-33;1-3-10-32(11-4-1)36-22-25-46-42(28-36)40-15-7-8-16-44(40)48-45-30-38(34-17-19-35(20-18-34)39-14-9-27-49-31-39)21-24-41(45)43-29-37(23-26-47(43)50(46)48)33-12-5-2-6-13-33;1-3-9-32(10-4-1)37-20-23-46-42(29-37)40-13-7-8-14-44(40)48-45-31-39(35-17-15-34(16-18-35)36-25-27-49-28-26-36)19-22-41(45)43-30-38(21-24-47(43)50(46)48)33-11-5-2-6-12-33;1-4-10-32-28(7-1)30-8-2-5-11-34(30)38-35-12-6-3-9-31(35)29-18-17-27(23-33(29)36(32)38)25-15-13-24(14-16-25)26-19-21-37-22-20-26/h3*1-31H;1-23H.

What are the key properties of 5,23-diphenyl-11-(4-pyridin-2-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,23-diphenyl-11-(4-pyridin-3-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,23-diphenyl-11-(4-pyridin-4-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;11-(4-pyridin-4-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene?

5,23-diphenyl-11-(4-pyridin-2-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,23-diphenyl-11-(4-pyridin-3-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,23-diphenyl-11-(4-pyridin-4-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;11-(4-pyridin-4-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene has a molecular weight of 2386.17 g/mol, XLogP of 39.28, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5,23-diphenyl-11-(4-pyridin-2-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,23-diphenyl-11-(4-pyridin-3-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;5,23-diphenyl-11-(4-pyridin-4-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene;11-(4-pyridin-4-ylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene is sourced from PubChem (CID 158545346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).