N,N,24-triphenyl-6-(3-phenylphenyl)-15,21-bis(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-dodecaen-18-amine

C78H53BN4 — CID 170683958

About N,N,24-triphenyl-6-(3-phenylphenyl)-15,21-bis(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-dodecaen-18-amine

N,N,24-triphenyl-6-(3-phenylphenyl)-15,21-bis(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-dodecaen-18-amine (PubChem CID 170683958) has the molecular formula C78H53BN4 and a molecular weight of 1057.12 g/mol. Its IUPAC name is N,N,24-triphenyl-6-(3-phenylphenyl)-15,21-bis(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-dodecaen-18-amine.

Molecular Properties

• Compound Name: N,N,24-triphenyl-6-(3-phenylphenyl)-15,21-bis(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-dodecaen-18-amine
• PubChem CID: 170683958
• Molecular Formula: C78H53BN4
• Molecular Weight: 1057.12 g/mol
• Exact Mass: 1056.44
• IUPAC Name: N,N,24-triphenyl-6-(3-phenylphenyl)-15,21-bis(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-dodecaen-18-amine
• SMILES: c1ccc(-c2ccc(N3c4cc(-c5ccccc5)ccc4B4c5ccc6c(c5N(c5ccc(-c7ccccc7)cc5)c5cc(N(c7ccccc7)c7ccccc7)cc3c54)c3ccccc3n6-c3cccc(-c4ccccc4)c3)cc2)cc1
• InChI: InChI=1S/C78H53BN4/c1-7-22-54(23-8-1)58-38-43-64(44-39-58)81-73-51-61(57-28-13-4-14-29-57)42-47-69(73)79-70-48-49-72-76(68-36-19-20-37-71(68)82(72)66-35-21-30-60(50-66)56-26-11-3-12-27-56)78(70)83(65-45-40-59(41-46-65)55-24-9-2-10-25-55)75-53-67(52-74(81)77(75)79)80(62-31-15-5-16-32-62)63-33-17-6-18-34-63/h1-53H
• InChIKey: BPSKPUGHBHUISL-UHFFFAOYSA-N
• XLogP: 19.00
• TPSA: 14.65 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1057.12
LogP ≤ 5	19.00
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 N,N,24-triphenyl-6-(3-phenylphenyl)-15,21-bis(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-dodecaen-18-amine?

The IUPAC name of N,N,24-triphenyl-6-(3-phenylphenyl)-15,21-bis(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-dodecaen-18-amine (CID 170683958) is N,N,24-triphenyl-6-(3-phenylphenyl)-15,21-bis(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-dodecaen-18-amine.

What is the SMILES notation for N,N,24-triphenyl-6-(3-phenylphenyl)-15,21-bis(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-dodecaen-18-amine?

The canonical SMILES for N,N,24-triphenyl-6-(3-phenylphenyl)-15,21-bis(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-dodecaen-18-amine is c1ccc(-c2ccc(N3c4cc(-c5ccccc5)ccc4B4c5ccc6c(c5N(c5ccc(-c7ccccc7)cc5)c5cc(N(c7ccccc7)c7ccccc7)cc3c54)c3ccccc3n6-c3cccc(-c4ccccc4)c3)cc2)cc1.

What is the InChIKey of N,N,24-triphenyl-6-(3-phenylphenyl)-15,21-bis(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-dodecaen-18-amine?

The InChIKey is BPSKPUGHBHUISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H53BN4/c1-7-22-54(23-8-1)58-38-43-64(44-39-58)81-73-51-61(57-28-13-4-14-29-57)42-47-69(73)79-70-48-49-72-76(68-36-19-20-37-71(68)82(72)66-35-21-30-60(50-66)56-26-11-3-12-27-56)78(70)83(65-45-40-59(41-46-65)55-24-9-2-10-25-55)75-53-67(52-74(81)77(75)79)80(62-31-15-5-16-32-62)63-33-17-6-18-34-63/h1-53H.

What are the key properties of N,N,24-triphenyl-6-(3-phenylphenyl)-15,21-bis(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-dodecaen-18-amine?

N,N,24-triphenyl-6-(3-phenylphenyl)-15,21-bis(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-dodecaen-18-amine has a molecular weight of 1057.12 g/mol, XLogP of 19.00, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,N,24-triphenyl-6-(3-phenylphenyl)-15,21-bis(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-dodecaen-18-amine is sourced from PubChem (CID 170683958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).