11,14,15,27-tetraphenyl-19-oxa-11,16,27-triaza-17-boranonacyclo[15.14.1.12,13.04,12.05,10.018,26.020,25.028,32.016,33]tritriaconta-1(32),2(33),3,5,7,9,12,14,18(26),20,22,24,28,30-tetradecaene

C52H32BN3O — CID 170689894

About 11,14,15,27-tetraphenyl-19-oxa-11,16,27-triaza-17-boranonacyclo[15.14.1.12,13.04,12.05,10.018,26.020,25.028,32.016,33]tritriaconta-1(32),2(33),3,5,7,9,12,14,18(26),20,22,24,28,30-tetradecaene

11,14,15,27-tetraphenyl-19-oxa-11,16,27-triaza-17-boranonacyclo[15.14.1.12,13.04,12.05,10.018,26.020,25.028,32.016,33]tritriaconta-1(32),2(33),3,5,7,9,12,14,18(26),20,22,24,28,30-tetradecaene (PubChem CID 170689894) has the molecular formula C52H32BN3O and a molecular weight of 725.66 g/mol. Its IUPAC name is 11,14,15,27-tetraphenyl-19-oxa-11,16,27-triaza-17-boranonacyclo[15.14.1.12,13.04,12.05,10.018,26.020,25.028,32.016,33]tritriaconta-1(32),2(33),3,5,7,9,12,14,18(26),20,22,24,28,30-tetradecaene.

Molecular Properties

• Compound Name: 11,14,15,27-tetraphenyl-19-oxa-11,16,27-triaza-17-boranonacyclo[15.14.1.12,13.04,12.05,10.018,26.020,25.028,32.016,33]tritriaconta-1(32),2(33),3,5,7,9,12,14,18(26),20,22,24,28,30-tetradecaene
• PubChem CID: 170689894
• Molecular Formula: C52H32BN3O
• Molecular Weight: 725.66 g/mol
• Exact Mass: 725.26
• IUPAC Name: 11,14,15,27-tetraphenyl-19-oxa-11,16,27-triaza-17-boranonacyclo[15.14.1.12,13.04,12.05,10.018,26.020,25.028,32.016,33]tritriaconta-1(32),2(33),3,5,7,9,12,14,18(26),20,22,24,28,30-tetradecaene
• SMILES: c1ccc(-c2c(-c3ccccc3)n3c4c(cc5c6ccccc6n(-c6ccccc6)c5c24)-c2cccc4c2B3c2oc3ccccc3c2N4c2ccccc2)cc1
• InChI: InChI=1S/C52H32BN3O/c1-5-18-33(19-6-1)45-46-49-40(37-26-13-15-29-42(37)54(49)35-22-9-3-10-23-35)32-41-38-28-17-30-43-47(38)53(56(50(41)46)48(45)34-20-7-2-8-21-34)52-51(39-27-14-16-31-44(39)57-52)55(43)36-24-11-4-12-25-36/h1-32H
• InChIKey: OGIDRMDUSKDFGQ-UHFFFAOYSA-N
• XLogP: 12.24
• TPSA: 26.24 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	725.66
LogP ≤ 5	12.24
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 11,14,15,27-tetraphenyl-19-oxa-11,16,27-triaza-17-boranonacyclo[15.14.1.12,13.04,12.05,10.018,26.020,25.028,32.016,33]tritriaconta-1(32),2(33),3,5,7,9,12,14,18(26),20,22,24,28,30-tetradecaene?

The IUPAC name of 11,14,15,27-tetraphenyl-19-oxa-11,16,27-triaza-17-boranonacyclo[15.14.1.12,13.04,12.05,10.018,26.020,25.028,32.016,33]tritriaconta-1(32),2(33),3,5,7,9,12,14,18(26),20,22,24,28,30-tetradecaene (CID 170689894) is 11,14,15,27-tetraphenyl-19-oxa-11,16,27-triaza-17-boranonacyclo[15.14.1.12,13.04,12.05,10.018,26.020,25.028,32.016,33]tritriaconta-1(32),2(33),3,5,7,9,12,14,18(26),20,22,24,28,30-tetradecaene.

What is the SMILES notation for 11,14,15,27-tetraphenyl-19-oxa-11,16,27-triaza-17-boranonacyclo[15.14.1.12,13.04,12.05,10.018,26.020,25.028,32.016,33]tritriaconta-1(32),2(33),3,5,7,9,12,14,18(26),20,22,24,28,30-tetradecaene?

The canonical SMILES for 11,14,15,27-tetraphenyl-19-oxa-11,16,27-triaza-17-boranonacyclo[15.14.1.12,13.04,12.05,10.018,26.020,25.028,32.016,33]tritriaconta-1(32),2(33),3,5,7,9,12,14,18(26),20,22,24,28,30-tetradecaene is c1ccc(-c2c(-c3ccccc3)n3c4c(cc5c6ccccc6n(-c6ccccc6)c5c24)-c2cccc4c2B3c2oc3ccccc3c2N4c2ccccc2)cc1.

What is the InChIKey of 11,14,15,27-tetraphenyl-19-oxa-11,16,27-triaza-17-boranonacyclo[15.14.1.12,13.04,12.05,10.018,26.020,25.028,32.016,33]tritriaconta-1(32),2(33),3,5,7,9,12,14,18(26),20,22,24,28,30-tetradecaene?

The InChIKey is OGIDRMDUSKDFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32BN3O/c1-5-18-33(19-6-1)45-46-49-40(37-26-13-15-29-42(37)54(49)35-22-9-3-10-23-35)32-41-38-28-17-30-43-47(38)53(56(50(41)46)48(45)34-20-7-2-8-21-34)52-51(39-27-14-16-31-44(39)57-52)55(43)36-24-11-4-12-25-36/h1-32H.

What are the key properties of 11,14,15,27-tetraphenyl-19-oxa-11,16,27-triaza-17-boranonacyclo[15.14.1.12,13.04,12.05,10.018,26.020,25.028,32.016,33]tritriaconta-1(32),2(33),3,5,7,9,12,14,18(26),20,22,24,28,30-tetradecaene?

11,14,15,27-tetraphenyl-19-oxa-11,16,27-triaza-17-boranonacyclo[15.14.1.12,13.04,12.05,10.018,26.020,25.028,32.016,33]tritriaconta-1(32),2(33),3,5,7,9,12,14,18(26),20,22,24,28,30-tetradecaene has a molecular weight of 725.66 g/mol, XLogP of 12.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 11,14,15,27-tetraphenyl-19-oxa-11,16,27-triaza-17-boranonacyclo[15.14.1.12,13.04,12.05,10.018,26.020,25.028,32.016,33]tritriaconta-1(32),2(33),3,5,7,9,12,14,18(26),20,22,24,28,30-tetradecaene is sourced from PubChem (CID 170689894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).