9,19-diphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,18,21,23,25-dodecaene;10,18-diphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,18,21,23,25-dodecaene;N,N-diphenyl-4-(23-phenyl-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-dodecaen-5-yl)aniline;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

C168H112B4N6 — CID 162131043

About 9,19-diphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,18,21,23,25-dodecaene;10,18-diphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,18,21,23,25-dodecaene;N,N-diphenyl-4-(23-phenyl-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-dodecaen-5-yl)aniline;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

9,19-diphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,18,21,23,25-dodecaene;10,18-diphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,18,21,23,25-dodecaene;N,N-diphenyl-4-(23-phenyl-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-dodecaen-5-yl)aniline;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 (PubChem CID 162131043) has the molecular formula C168H112B4N6 and a molecular weight of 2258.03 g/mol. Its IUPAC name is 9,19-diphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,18,21,23,25-dodecaene;10,18-diphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,18,21,23,25-dodecaene;N,N-diphenyl-4-(23-phenyl-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-dodecaen-5-yl)aniline;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.

Molecular Properties

• Compound Name: 9,19-diphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,18,21,23,25-dodecaene;10,18-diphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,18,21,23,25-dodecaene;N,N-diphenyl-4-(23-phenyl-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-dodecaen-5-yl)aniline;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
• PubChem CID: 162131043
• Molecular Formula: C168H112B4N6
• Molecular Weight: 2258.03 g/mol
• Exact Mass: 2256.93
• IUPAC Name: 9,19-diphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,18,21,23,25-dodecaene;10,18-diphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,18,21,23,25-dodecaene;N,N-diphenyl-4-(23-phenyl-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-dodecaen-5-yl)aniline;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
• SMILES: c1ccc(-c2ccc3c(c2)-c2ccccc2B2c4ccccc4-c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc4N23)cc1.c1ccc(-c2ccc3c(c2)-c2ccccc2B2c4ccccc4-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4N23)cc1.c1ccc(-c2ccc3c(c2)-c2ccccc2N2B3c3ccc(-c4ccccc4)cc3-c3ccccc32)cc1.c1ccc(-c2cccc3c2-c2ccccc2N2B3c3cccc(-c4ccccc4)c3-c3ccccc32)cc1
• InChI: InChI=1S/C48H31BN2.C48H33BN2.2C36H24BN/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;1-4-14-34(15-5-1)36-26-30-47-43(32-36)41-20-10-12-22-45(41)49-46-23-13-11-21-42(46)44-33-37(27-31-48(44)51(47)49)35-24-28-40(29-25-35)50(38-16-6-2-7-17-38)39-18-8-3-9-19-39;1-3-13-25(14-4-1)27-19-11-21-31-35(27)29-17-7-9-23-33(29)38-34-24-10-8-18-30(34)36-28(26-15-5-2-6-16-26)20-12-22-32(36)37(31)38;1-3-11-25(12-4-1)27-19-21-33-31(23-27)29-15-7-9-17-35(29)38-36-18-10-8-16-30(36)32-24-28(20-22-34(32)37(33)38)26-13-5-2-6-14-26/h1-31H;1-33H;2*1-24H
• InChIKey: ZIQYQCVBKJCQKS-UHFFFAOYSA-N
• XLogP: 38.27
• TPSA: 21.13 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2258.03
LogP ≤ 5	38.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,19-diphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,18,21,23,25-dodecaene;10,18-diphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,18,21,23,25-dodecaene;N,N-diphenyl-4-(23-phenyl-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-dodecaen-5-yl)aniline;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?

The IUPAC name of 9,19-diphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,18,21,23,25-dodecaene;10,18-diphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,18,21,23,25-dodecaene;N,N-diphenyl-4-(23-phenyl-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-dodecaen-5-yl)aniline;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 (CID 162131043) is 9,19-diphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,18,21,23,25-dodecaene;10,18-diphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,18,21,23,25-dodecaene;N,N-diphenyl-4-(23-phenyl-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-dodecaen-5-yl)aniline;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.

What is the SMILES notation for 9,19-diphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,18,21,23,25-dodecaene;10,18-diphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,18,21,23,25-dodecaene;N,N-diphenyl-4-(23-phenyl-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-dodecaen-5-yl)aniline;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?

The canonical SMILES for 9,19-diphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,18,21,23,25-dodecaene;10,18-diphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,18,21,23,25-dodecaene;N,N-diphenyl-4-(23-phenyl-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-dodecaen-5-yl)aniline;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 is c1ccc(-c2ccc3c(c2)-c2ccccc2B2c4ccccc4-c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc4N23)cc1.c1ccc(-c2ccc3c(c2)-c2ccccc2B2c4ccccc4-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4N23)cc1.c1ccc(-c2ccc3c(c2)-c2ccccc2N2B3c3ccc(-c4ccccc4)cc3-c3ccccc32)cc1.c1ccc(-c2cccc3c2-c2ccccc2N2B3c3cccc(-c4ccccc4)c3-c3ccccc32)cc1.

What is the InChIKey of 9,19-diphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,18,21,23,25-dodecaene;10,18-diphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,18,21,23,25-dodecaene;N,N-diphenyl-4-(23-phenyl-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-dodecaen-5-yl)aniline;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?

The InChIKey is ZIQYQCVBKJCQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31BN2.C48H33BN2.2C36H24BN/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;1-4-14-34(15-5-1)36-26-30-47-43(32-36)41-20-10-12-22-45(41)49-46-23-13-11-21-42(46)44-33-37(27-31-48(44)51(47)49)35-24-28-40(29-25-35)50(38-16-6-2-7-17-38)39-18-8-3-9-19-39;1-3-13-25(14-4-1)27-19-11-21-31-35(27)29-17-7-9-23-33(29)38-34-24-10-8-18-30(34)36-28(26-15-5-2-6-16-26)20-12-22-32(36)37(31)38;1-3-11-25(12-4-1)27-19-21-33-31(23-27)29-15-7-9-17-35(29)38-36-18-10-8-16-30(36)32-24-28(20-22-34(32)37(33)38)26-13-5-2-6-14-26/h1-31H;1-33H;2*1-24H.

What are the key properties of 9,19-diphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,18,21,23,25-dodecaene;10,18-diphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,18,21,23,25-dodecaene;N,N-diphenyl-4-(23-phenyl-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-dodecaen-5-yl)aniline;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?

9,19-diphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,18,21,23,25-dodecaene;10,18-diphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,18,21,23,25-dodecaene;N,N-diphenyl-4-(23-phenyl-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-dodecaen-5-yl)aniline;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 has a molecular weight of 2258.03 g/mol, XLogP of 38.27, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9,19-diphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,18,21,23,25-dodecaene;10,18-diphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15(20),16,18,21,23,25-dodecaene;N,N-diphenyl-4-(23-phenyl-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-dodecaen-5-yl)aniline;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 is sourced from PubChem (CID 162131043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).