5,8,13,21-tetraphenyl-5,21-diaza-1,17-diboranonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11(16),12,14,18,22,24,26(33),27,29,31-pentadecaene

C54H34B2N2 — CID 165377694

About 5,8,13,21-tetraphenyl-5,21-diaza-1,17-diboranonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11(16),12,14,18,22,24,26(33),27,29,31-pentadecaene

5,8,13,21-tetraphenyl-5,21-diaza-1,17-diboranonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11(16),12,14,18,22,24,26(33),27,29,31-pentadecaene (PubChem CID 165377694) has the molecular formula C54H34B2N2 and a molecular weight of 732.50 g/mol. Its IUPAC name is 5,8,13,21-tetraphenyl-5,21-diaza-1,17-diboranonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11(16),12,14,18,22,24,26(33),27,29,31-pentadecaene.

Molecular Properties

• Compound Name: 5,8,13,21-tetraphenyl-5,21-diaza-1,17-diboranonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11(16),12,14,18,22,24,26(33),27,29,31-pentadecaene
• PubChem CID: 165377694
• Molecular Formula: C54H34B2N2
• Molecular Weight: 732.50 g/mol
• Exact Mass: 732.29
• IUPAC Name: 5,8,13,21-tetraphenyl-5,21-diaza-1,17-diboranonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11(16),12,14,18,22,24,26(33),27,29,31-pentadecaene
• SMILES: c1ccc(-c2ccc3c(c2)-c2cc(-c4ccccc4)cc4c2B3c2cc3c(cc2N4c2ccccc2)B2c4ccccc4-c4cccc(c42)N3c2ccccc2)cc1
• InChI: InChI=1S/C54H34B2N2/c1-5-16-35(17-6-1)37-28-29-46-43(30-37)44-31-38(36-18-7-2-8-19-36)32-52-54(44)56(46)48-33-50-47(34-51(48)58(52)40-22-11-4-12-23-40)55-45-26-14-13-24-41(45)42-25-15-27-49(53(42)55)57(50)39-20-9-3-10-21-39/h1-34H
• InChIKey: LJSMIYZWLDLIBV-UHFFFAOYSA-N
• XLogP: 9.58
• TPSA: 6.48 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	9.58
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 5,8,13,21-tetraphenyl-5,21-diaza-1,17-diboranonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11(16),12,14,18,22,24,26(33),27,29,31-pentadecaene?

The IUPAC name of 5,8,13,21-tetraphenyl-5,21-diaza-1,17-diboranonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11(16),12,14,18,22,24,26(33),27,29,31-pentadecaene (CID 165377694) is 5,8,13,21-tetraphenyl-5,21-diaza-1,17-diboranonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11(16),12,14,18,22,24,26(33),27,29,31-pentadecaene.

What is the SMILES notation for 5,8,13,21-tetraphenyl-5,21-diaza-1,17-diboranonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11(16),12,14,18,22,24,26(33),27,29,31-pentadecaene?

The canonical SMILES for 5,8,13,21-tetraphenyl-5,21-diaza-1,17-diboranonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11(16),12,14,18,22,24,26(33),27,29,31-pentadecaene is c1ccc(-c2ccc3c(c2)-c2cc(-c4ccccc4)cc4c2B3c2cc3c(cc2N4c2ccccc2)B2c4ccccc4-c4cccc(c42)N3c2ccccc2)cc1.

What is the InChIKey of 5,8,13,21-tetraphenyl-5,21-diaza-1,17-diboranonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11(16),12,14,18,22,24,26(33),27,29,31-pentadecaene?

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

What are the key properties of 5,8,13,21-tetraphenyl-5,21-diaza-1,17-diboranonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11(16),12,14,18,22,24,26(33),27,29,31-pentadecaene?

5,8,13,21-tetraphenyl-5,21-diaza-1,17-diboranonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11(16),12,14,18,22,24,26(33),27,29,31-pentadecaene has a molecular weight of 732.50 g/mol, XLogP of 9.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5,8,13,21-tetraphenyl-5,21-diaza-1,17-diboranonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11(16),12,14,18,22,24,26(33),27,29,31-pentadecaene is sourced from PubChem (CID 165377694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).