26-phenyl-20-(2-phenylphenyl)-6,20,26-triaza-1-boranonacyclo[19.11.1.16,13.02,19.05,18.07,12.025,33.027,32.017,34]tetratriaconta-2(19),3,5(18),7,9,11,13(34),14,16,21,23,25(33),27,29,31-pentadecaene

C48H30BN3 — CID 167382204

About 26-phenyl-20-(2-phenylphenyl)-6,20,26-triaza-1-boranonacyclo[19.11.1.16,13.02,19.05,18.07,12.025,33.027,32.017,34]tetratriaconta-2(19),3,5(18),7,9,11,13(34),14,16,21,23,25(33),27,29,31-pentadecaene

26-phenyl-20-(2-phenylphenyl)-6,20,26-triaza-1-boranonacyclo[19.11.1.16,13.02,19.05,18.07,12.025,33.027,32.017,34]tetratriaconta-2(19),3,5(18),7,9,11,13(34),14,16,21,23,25(33),27,29,31-pentadecaene (PubChem CID 167382204) has the molecular formula C48H30BN3 and a molecular weight of 659.60 g/mol. Its IUPAC name is 26-phenyl-20-(2-phenylphenyl)-6,20,26-triaza-1-boranonacyclo[19.11.1.16,13.02,19.05,18.07,12.025,33.027,32.017,34]tetratriaconta-2(19),3,5(18),7,9,11,13(34),14,16,21,23,25(33),27,29,31-pentadecaene.

Molecular Properties

• Compound Name: 26-phenyl-20-(2-phenylphenyl)-6,20,26-triaza-1-boranonacyclo[19.11.1.16,13.02,19.05,18.07,12.025,33.027,32.017,34]tetratriaconta-2(19),3,5(18),7,9,11,13(34),14,16,21,23,25(33),27,29,31-pentadecaene
• PubChem CID: 167382204
• Molecular Formula: C48H30BN3
• Molecular Weight: 659.60 g/mol
• Exact Mass: 659.25
• IUPAC Name: 26-phenyl-20-(2-phenylphenyl)-6,20,26-triaza-1-boranonacyclo[19.11.1.16,13.02,19.05,18.07,12.025,33.027,32.017,34]tetratriaconta-2(19),3,5(18),7,9,11,13(34),14,16,21,23,25(33),27,29,31-pentadecaene
• SMILES: c1ccc(-c2ccccc2N2c3cccc4c3B(c3ccccc3N4c3ccccc3)c3ccc4c(c32)c2cccc3c5ccccc5n4c32)cc1
• InChI: InChI=1S/C48H30BN3/c1-3-15-31(16-4-1)33-19-7-10-24-39(33)52-44-28-14-27-43-46(44)49(37-23-9-12-26-41(37)50(43)32-17-5-2-6-18-32)38-29-30-42-45(48(38)52)36-22-13-21-35-34-20-8-11-25-40(34)51(42)47(35)36/h1-30H
• InChIKey: BXYWVMYWHWRMQD-UHFFFAOYSA-N
• XLogP: 10.59
• TPSA: 10.89 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	659.60
LogP ≤ 5	10.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 26-phenyl-20-(2-phenylphenyl)-6,20,26-triaza-1-boranonacyclo[19.11.1.16,13.02,19.05,18.07,12.025,33.027,32.017,34]tetratriaconta-2(19),3,5(18),7,9,11,13(34),14,16,21,23,25(33),27,29,31-pentadecaene?

The IUPAC name of 26-phenyl-20-(2-phenylphenyl)-6,20,26-triaza-1-boranonacyclo[19.11.1.16,13.02,19.05,18.07,12.025,33.027,32.017,34]tetratriaconta-2(19),3,5(18),7,9,11,13(34),14,16,21,23,25(33),27,29,31-pentadecaene (CID 167382204) is 26-phenyl-20-(2-phenylphenyl)-6,20,26-triaza-1-boranonacyclo[19.11.1.16,13.02,19.05,18.07,12.025,33.027,32.017,34]tetratriaconta-2(19),3,5(18),7,9,11,13(34),14,16,21,23,25(33),27,29,31-pentadecaene.

What is the SMILES notation for 26-phenyl-20-(2-phenylphenyl)-6,20,26-triaza-1-boranonacyclo[19.11.1.16,13.02,19.05,18.07,12.025,33.027,32.017,34]tetratriaconta-2(19),3,5(18),7,9,11,13(34),14,16,21,23,25(33),27,29,31-pentadecaene?

The canonical SMILES for 26-phenyl-20-(2-phenylphenyl)-6,20,26-triaza-1-boranonacyclo[19.11.1.16,13.02,19.05,18.07,12.025,33.027,32.017,34]tetratriaconta-2(19),3,5(18),7,9,11,13(34),14,16,21,23,25(33),27,29,31-pentadecaene is c1ccc(-c2ccccc2N2c3cccc4c3B(c3ccccc3N4c3ccccc3)c3ccc4c(c32)c2cccc3c5ccccc5n4c32)cc1.

What is the InChIKey of 26-phenyl-20-(2-phenylphenyl)-6,20,26-triaza-1-boranonacyclo[19.11.1.16,13.02,19.05,18.07,12.025,33.027,32.017,34]tetratriaconta-2(19),3,5(18),7,9,11,13(34),14,16,21,23,25(33),27,29,31-pentadecaene?

The InChIKey is BXYWVMYWHWRMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30BN3/c1-3-15-31(16-4-1)33-19-7-10-24-39(33)52-44-28-14-27-43-46(44)49(37-23-9-12-26-41(37)50(43)32-17-5-2-6-18-32)38-29-30-42-45(48(38)52)36-22-13-21-35-34-20-8-11-25-40(34)51(42)47(35)36/h1-30H.

What are the key properties of 26-phenyl-20-(2-phenylphenyl)-6,20,26-triaza-1-boranonacyclo[19.11.1.16,13.02,19.05,18.07,12.025,33.027,32.017,34]tetratriaconta-2(19),3,5(18),7,9,11,13(34),14,16,21,23,25(33),27,29,31-pentadecaene?

26-phenyl-20-(2-phenylphenyl)-6,20,26-triaza-1-boranonacyclo[19.11.1.16,13.02,19.05,18.07,12.025,33.027,32.017,34]tetratriaconta-2(19),3,5(18),7,9,11,13(34),14,16,21,23,25(33),27,29,31-pentadecaene has a molecular weight of 659.60 g/mol, XLogP of 10.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 26-phenyl-20-(2-phenylphenyl)-6,20,26-triaza-1-boranonacyclo[19.11.1.16,13.02,19.05,18.07,12.025,33.027,32.017,34]tetratriaconta-2(19),3,5(18),7,9,11,13(34),14,16,21,23,25(33),27,29,31-pentadecaene is sourced from PubChem (CID 167382204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).