24-carbazol-9-yl-6-(2,6-diphenylphenyl)-15-(3-phenylphenyl)-21-(4-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene

C78H51BN4 — CID 170683991

About 24-carbazol-9-yl-6-(2,6-diphenylphenyl)-15-(3-phenylphenyl)-21-(4-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene

24-carbazol-9-yl-6-(2,6-diphenylphenyl)-15-(3-phenylphenyl)-21-(4-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene (PubChem CID 170683991) has the molecular formula C78H51BN4 and a molecular weight of 1055.11 g/mol. Its IUPAC name is 24-carbazol-9-yl-6-(2,6-diphenylphenyl)-15-(3-phenylphenyl)-21-(4-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene.

Molecular Properties

• Compound Name: 24-carbazol-9-yl-6-(2,6-diphenylphenyl)-15-(3-phenylphenyl)-21-(4-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene
• PubChem CID: 170683991
• Molecular Formula: C78H51BN4
• Molecular Weight: 1055.11 g/mol
• Exact Mass: 1054.42
• IUPAC Name: 24-carbazol-9-yl-6-(2,6-diphenylphenyl)-15-(3-phenylphenyl)-21-(4-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene
• SMILES: c1ccc(-c2ccc(N3c4cc(-n5c6ccccc6c6ccccc65)ccc4B4c5ccc6c(c5N(c5cccc(-c7ccccc7)c5)c5cccc3c54)c3ccccc3n6-c3c(-c4ccccc4)cccc3-c3ccccc3)cc2)cc1
• InChI: InChI=1S/C78H51BN4/c1-5-22-52(23-6-1)54-42-44-58(45-43-54)80-72-40-21-41-73-76(72)79(66-47-46-60(51-74(66)80)81-68-37-16-13-32-63(68)64-33-14-17-38-69(64)81)67-48-49-71-75(78(67)82(73)59-31-19-30-57(50-59)53-24-7-2-8-25-53)65-34-15-18-39-70(65)83(71)77-61(55-26-9-3-10-27-55)35-20-36-62(77)56-28-11-4-12-29-56/h1-51H
• InChIKey: XZUPTKWASZDJSK-UHFFFAOYSA-N
• XLogP: 18.63
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1055.11
LogP ≤ 5	18.63
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 24-carbazol-9-yl-6-(2,6-diphenylphenyl)-15-(3-phenylphenyl)-21-(4-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene?

The IUPAC name of 24-carbazol-9-yl-6-(2,6-diphenylphenyl)-15-(3-phenylphenyl)-21-(4-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene (CID 170683991) is 24-carbazol-9-yl-6-(2,6-diphenylphenyl)-15-(3-phenylphenyl)-21-(4-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene.

What is the SMILES notation for 24-carbazol-9-yl-6-(2,6-diphenylphenyl)-15-(3-phenylphenyl)-21-(4-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene?

The canonical SMILES for 24-carbazol-9-yl-6-(2,6-diphenylphenyl)-15-(3-phenylphenyl)-21-(4-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene is c1ccc(-c2ccc(N3c4cc(-n5c6ccccc6c6ccccc65)ccc4B4c5ccc6c(c5N(c5cccc(-c7ccccc7)c5)c5cccc3c54)c3ccccc3n6-c3c(-c4ccccc4)cccc3-c3ccccc3)cc2)cc1.

What is the InChIKey of 24-carbazol-9-yl-6-(2,6-diphenylphenyl)-15-(3-phenylphenyl)-21-(4-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene?

The InChIKey is XZUPTKWASZDJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H51BN4/c1-5-22-52(23-6-1)54-42-44-58(45-43-54)80-72-40-21-41-73-76(72)79(66-47-46-60(51-74(66)80)81-68-37-16-13-32-63(68)64-33-14-17-38-69(64)81)67-48-49-71-75(78(67)82(73)59-31-19-30-57(50-59)53-24-7-2-8-25-53)65-34-15-18-39-70(65)83(71)77-61(55-26-9-3-10-27-55)35-20-36-62(77)56-28-11-4-12-29-56/h1-51H.

What are the key properties of 24-carbazol-9-yl-6-(2,6-diphenylphenyl)-15-(3-phenylphenyl)-21-(4-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene?

24-carbazol-9-yl-6-(2,6-diphenylphenyl)-15-(3-phenylphenyl)-21-(4-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene has a molecular weight of 1055.11 g/mol, XLogP of 18.63, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 24-carbazol-9-yl-6-(2,6-diphenylphenyl)-15-(3-phenylphenyl)-21-(4-phenylphenyl)-6,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene is sourced from PubChem (CID 170683991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).