5,23-bis(3-phenylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-bis(4-phenylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-dinaphthalen-1-yl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-dinaphthalen-2-yl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene

C184H112B4N4 — CID 159952247

About 5,23-bis(3-phenylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-bis(4-phenylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-dinaphthalen-1-yl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-dinaphthalen-2-yl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene

5,23-bis(3-phenylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-bis(4-phenylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-dinaphthalen-1-yl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-dinaphthalen-2-yl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene (PubChem CID 159952247) has the molecular formula C184H112B4N4 and a molecular weight of 2422.20 g/mol. Its IUPAC name is 5,23-bis(3-phenylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-bis(4-phenylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-dinaphthalen-1-yl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-dinaphthalen-2-yl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene.

Molecular Properties

• Compound Name: 5,23-bis(3-phenylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-bis(4-phenylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-dinaphthalen-1-yl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-dinaphthalen-2-yl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene
• PubChem CID: 159952247
• Molecular Formula: C184H112B4N4
• Molecular Weight: 2422.20 g/mol
• Exact Mass: 2420.93
• IUPAC Name: 5,23-bis(3-phenylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-bis(4-phenylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-dinaphthalen-1-yl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-dinaphthalen-2-yl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene
• SMILES: c1ccc(-c2ccc(-c3cc4c5c(c3)c3cc(-c6ccc(-c7ccccc7)cc6)cc6c3n5B(c3ccccc3-4)c3ccccc3-6)cc2)cc1.c1ccc(-c2cccc(-c3cc4c5c(c3)c3cc(-c6cccc(-c7ccccc7)c6)cc6c3n5B(c3ccccc3-4)c3ccccc3-6)c2)cc1.c1ccc2c(c1)B1c3ccccc3-c3cc(-c4ccc5ccccc5c4)cc4c5cc(-c6ccc7ccccc7c6)cc-2c5n1c34.c1ccc2c(c1)B1c3ccccc3-c3cc(-c4cccc5ccccc45)cc4c5cc(-c6cccc7ccccc67)cc-2c5n1c34
• InChI: InChI=1S/2C48H30BN.2C44H26BN/c1-3-13-31(14-4-1)33-17-11-19-35(25-33)37-27-41-39-21-7-9-23-45(39)49-46-24-10-8-22-40(46)42-28-38(30-44-43(29-37)47(41)50(49)48(42)44)36-20-12-18-34(26-36)32-15-5-2-6-16-32;1-3-11-31(12-4-1)33-19-23-35(24-20-33)37-27-41-39-15-7-9-17-45(39)49-46-18-10-8-16-40(46)42-28-38(30-44-43(29-37)47(41)50(49)48(42)44)36-25-21-34(22-26-36)32-13-5-2-6-14-32;1-3-15-31-27(11-1)13-9-19-33(31)29-23-37-35-17-5-7-21-41(35)45-42-22-8-6-18-36(42)38-24-30(26-40-39(25-29)43(37)46(45)44(38)40)34-20-10-14-28-12-2-4-16-32(28)34;1-3-11-29-21-31(19-17-27(29)9-1)33-23-37-35-13-5-7-15-41(35)45-42-16-8-6-14-36(42)38-24-34(26-40-39(25-33)43(37)46(45)44(38)40)32-20-18-28-10-2-4-12-30(28)22-32/h2*1-30H;2*1-26H
• InChIKey: OCGNJDGOOPMVBV-UHFFFAOYSA-N
• XLogP: 42.25
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2422.20
LogP ≤ 5	42.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,23-bis(3-phenylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-bis(4-phenylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-dinaphthalen-1-yl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-dinaphthalen-2-yl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene?

The IUPAC name of 5,23-bis(3-phenylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-bis(4-phenylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-dinaphthalen-1-yl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-dinaphthalen-2-yl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene (CID 159952247) is 5,23-bis(3-phenylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-bis(4-phenylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-dinaphthalen-1-yl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-dinaphthalen-2-yl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene.

What is the SMILES notation for 5,23-bis(3-phenylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-bis(4-phenylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-dinaphthalen-1-yl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-dinaphthalen-2-yl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene?

The canonical SMILES for 5,23-bis(3-phenylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-bis(4-phenylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-dinaphthalen-1-yl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-dinaphthalen-2-yl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene is c1ccc(-c2ccc(-c3cc4c5c(c3)c3cc(-c6ccc(-c7ccccc7)cc6)cc6c3n5B(c3ccccc3-4)c3ccccc3-6)cc2)cc1.c1ccc(-c2cccc(-c3cc4c5c(c3)c3cc(-c6cccc(-c7ccccc7)c6)cc6c3n5B(c3ccccc3-4)c3ccccc3-6)c2)cc1.c1ccc2c(c1)B1c3ccccc3-c3cc(-c4ccc5ccccc5c4)cc4c5cc(-c6ccc7ccccc7c6)cc-2c5n1c34.c1ccc2c(c1)B1c3ccccc3-c3cc(-c4cccc5ccccc45)cc4c5cc(-c6cccc7ccccc67)cc-2c5n1c34.

What is the InChIKey of 5,23-bis(3-phenylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-bis(4-phenylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-dinaphthalen-1-yl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-dinaphthalen-2-yl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene?

The InChIKey is OCGNJDGOOPMVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H30BN.2C44H26BN/c1-3-13-31(14-4-1)33-17-11-19-35(25-33)37-27-41-39-21-7-9-23-45(39)49-46-24-10-8-22-40(46)42-28-38(30-44-43(29-37)47(41)50(49)48(42)44)36-20-12-18-34(26-36)32-15-5-2-6-16-32;1-3-11-31(12-4-1)33-19-23-35(24-20-33)37-27-41-39-15-7-9-17-45(39)49-46-18-10-8-16-40(46)42-28-38(30-44-43(29-37)47(41)50(49)48(42)44)36-25-21-34(22-26-36)32-13-5-2-6-14-32;1-3-15-31-27(11-1)13-9-19-33(31)29-23-37-35-17-5-7-21-41(35)45-42-22-8-6-18-36(42)38-24-30(26-40-39(25-29)43(37)46(45)44(38)40)34-20-10-14-28-12-2-4-16-32(28)34;1-3-11-29-21-31(19-17-27(29)9-1)33-23-37-35-13-5-7-15-41(35)45-42-16-8-6-14-36(42)38-24-34(26-40-39(25-33)43(37)46(45)44(38)40)32-20-18-28-10-2-4-12-30(28)22-32/h2*1-30H;2*1-26H.

What are the key properties of 5,23-bis(3-phenylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-bis(4-phenylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-dinaphthalen-1-yl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-dinaphthalen-2-yl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene?

5,23-bis(3-phenylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-bis(4-phenylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-dinaphthalen-1-yl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-dinaphthalen-2-yl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene has a molecular weight of 2422.20 g/mol, XLogP of 42.25, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5,23-bis(3-phenylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-bis(4-phenylphenyl)-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-dinaphthalen-1-yl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene;5,23-dinaphthalen-2-yl-1-aza-14-boraheptacyclo[12.12.0.02,7.03,25.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaene is sourced from PubChem (CID 159952247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).