5,13,21,29-tetraphenyl-1,17-diaza-5,21-diboranonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6(34),7,9,11(16),12,14,18,22(33),23,25,27(32),28,30-pentadecaene

C54H34B2N2 — CID 169073341

About 5,13,21,29-tetraphenyl-1,17-diaza-5,21-diboranonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6(34),7,9,11(16),12,14,18,22(33),23,25,27(32),28,30-pentadecaene

5,13,21,29-tetraphenyl-1,17-diaza-5,21-diboranonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6(34),7,9,11(16),12,14,18,22(33),23,25,27(32),28,30-pentadecaene (PubChem CID 169073341) has the molecular formula C54H34B2N2 and a molecular weight of 732.50 g/mol. Its IUPAC name is 5,13,21,29-tetraphenyl-1,17-diaza-5,21-diboranonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6(34),7,9,11(16),12,14,18,22(33),23,25,27(32),28,30-pentadecaene.

Molecular Properties

• Compound Name: 5,13,21,29-tetraphenyl-1,17-diaza-5,21-diboranonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6(34),7,9,11(16),12,14,18,22(33),23,25,27(32),28,30-pentadecaene
• PubChem CID: 169073341
• Molecular Formula: C54H34B2N2
• Molecular Weight: 732.50 g/mol
• Exact Mass: 732.29
• IUPAC Name: 5,13,21,29-tetraphenyl-1,17-diaza-5,21-diboranonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6(34),7,9,11(16),12,14,18,22(33),23,25,27(32),28,30-pentadecaene
• SMILES: c1ccc(B2c3cc4c(cc3-n3c5ccc(-c6ccccc6)cc5c5cccc2c53)B(c2ccccc2)c2cccc3c5cc(-c6ccccc6)ccc5n-4c23)cc1
• InChI: InChI=1S/C54H34B2N2/c1-5-15-35(16-6-1)37-27-29-49-43(31-37)41-23-13-25-45-53(41)57(49)51-33-48-52(34-47(51)55(45)39-19-9-3-10-20-39)58-50-30-28-38(36-17-7-2-8-18-36)32-44(50)42-24-14-26-46(54(42)58)56(48)40-21-11-4-12-22-40/h1-34H
• InChIKey: SGHJJMQVLQJXFW-UHFFFAOYSA-N
• XLogP: 8.87
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.50
LogP ≤ 5	8.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,13,21,29-tetraphenyl-1,17-diaza-5,21-diboranonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6(34),7,9,11(16),12,14,18,22(33),23,25,27(32),28,30-pentadecaene?

The IUPAC name of 5,13,21,29-tetraphenyl-1,17-diaza-5,21-diboranonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6(34),7,9,11(16),12,14,18,22(33),23,25,27(32),28,30-pentadecaene (CID 169073341) is 5,13,21,29-tetraphenyl-1,17-diaza-5,21-diboranonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6(34),7,9,11(16),12,14,18,22(33),23,25,27(32),28,30-pentadecaene.

What is the SMILES notation for 5,13,21,29-tetraphenyl-1,17-diaza-5,21-diboranonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6(34),7,9,11(16),12,14,18,22(33),23,25,27(32),28,30-pentadecaene?

The canonical SMILES for 5,13,21,29-tetraphenyl-1,17-diaza-5,21-diboranonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6(34),7,9,11(16),12,14,18,22(33),23,25,27(32),28,30-pentadecaene is c1ccc(B2c3cc4c(cc3-n3c5ccc(-c6ccccc6)cc5c5cccc2c53)B(c2ccccc2)c2cccc3c5cc(-c6ccccc6)ccc5n-4c23)cc1.

What is the InChIKey of 5,13,21,29-tetraphenyl-1,17-diaza-5,21-diboranonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6(34),7,9,11(16),12,14,18,22(33),23,25,27(32),28,30-pentadecaene?

The InChIKey is SGHJJMQVLQJXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34B2N2/c1-5-15-35(16-6-1)37-27-29-49-43(31-37)41-23-13-25-45-53(41)57(49)51-33-48-52(34-47(51)55(45)39-19-9-3-10-20-39)58-50-30-28-38(36-17-7-2-8-18-36)32-44(50)42-24-14-26-46(54(42)58)56(48)40-21-11-4-12-22-40/h1-34H.

What are the key properties of 5,13,21,29-tetraphenyl-1,17-diaza-5,21-diboranonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6(34),7,9,11(16),12,14,18,22(33),23,25,27(32),28,30-pentadecaene?

5,13,21,29-tetraphenyl-1,17-diaza-5,21-diboranonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6(34),7,9,11(16),12,14,18,22(33),23,25,27(32),28,30-pentadecaene has a molecular weight of 732.50 g/mol, XLogP of 8.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5,13,21,29-tetraphenyl-1,17-diaza-5,21-diboranonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6(34),7,9,11(16),12,14,18,22(33),23,25,27(32),28,30-pentadecaene is sourced from PubChem (CID 169073341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).