11-methyl-18,23,29-tris(4-methylphenyl)-1,4-diaza-7,18,23,29-tetraboraundecacyclo[22.11.1.02,22.03,19.04,34.05,17.06,14.07,33.08,13.028,36.030,35]hexatriaconta-2(22),3(19),5(17),6(14),8(13),9,11,15,20,24(36),25,27,30(35),31,33-pentadecaene

C52H36B4N2 — CID 174026174

About 11-methyl-18,23,29-tris(4-methylphenyl)-1,4-diaza-7,18,23,29-tetraboraundecacyclo[22.11.1.02,22.03,19.04,34.05,17.06,14.07,33.08,13.028,36.030,35]hexatriaconta-2(22),3(19),5(17),6(14),8(13),9,11,15,20,24(36),25,27,30(35),31,33-pentadecaene

11-methyl-18,23,29-tris(4-methylphenyl)-1,4-diaza-7,18,23,29-tetraboraundecacyclo[22.11.1.02,22.03,19.04,34.05,17.06,14.07,33.08,13.028,36.030,35]hexatriaconta-2(22),3(19),5(17),6(14),8(13),9,11,15,20,24(36),25,27,30(35),31,33-pentadecaene (PubChem CID 174026174) has the molecular formula C52H36B4N2 and a molecular weight of 732.12 g/mol. Its IUPAC name is 11-methyl-18,23,29-tris(4-methylphenyl)-1,4-diaza-7,18,23,29-tetraboraundecacyclo[22.11.1.02,22.03,19.04,34.05,17.06,14.07,33.08,13.028,36.030,35]hexatriaconta-2(22),3(19),5(17),6(14),8(13),9,11,15,20,24(36),25,27,30(35),31,33-pentadecaene.

Molecular Properties

• Compound Name: 11-methyl-18,23,29-tris(4-methylphenyl)-1,4-diaza-7,18,23,29-tetraboraundecacyclo[22.11.1.02,22.03,19.04,34.05,17.06,14.07,33.08,13.028,36.030,35]hexatriaconta-2(22),3(19),5(17),6(14),8(13),9,11,15,20,24(36),25,27,30(35),31,33-pentadecaene
• PubChem CID: 174026174
• Molecular Formula: C52H36B4N2
• Molecular Weight: 732.12 g/mol
• Exact Mass: 732.33
• IUPAC Name: 11-methyl-18,23,29-tris(4-methylphenyl)-1,4-diaza-7,18,23,29-tetraboraundecacyclo[22.11.1.02,22.03,19.04,34.05,17.06,14.07,33.08,13.028,36.030,35]hexatriaconta-2(22),3(19),5(17),6(14),8(13),9,11,15,20,24(36),25,27,30(35),31,33-pentadecaene
• SMILES: Cc1ccc(B2c3cccc4c3N3c5c2ccc2c5N5c6c(ccc7c6B(c6ccc(C)cc6-7)c6ccc(c3c65)B4c3ccc(C)cc3)B2c2ccc(C)cc2)cc1
• InChI: InChI=1S/C52H36B4N2/c1-29-8-15-33(16-9-29)53-39-6-5-7-40-47(39)57-49-42(53)24-25-44-51(49)58-48-41(55(44)35-19-12-31(3)13-20-35)23-21-36-37-28-32(4)14-22-38(37)56(46(36)48)45-27-26-43(50(57)52(45)58)54(40)34-17-10-30(2)11-18-34/h5-28H,1-4H3
• InChIKey: UQFOFTGLGPZISP-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	732.12
LogP ≤ 5	3.47
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 11-methyl-18,23,29-tris(4-methylphenyl)-1,4-diaza-7,18,23,29-tetraboraundecacyclo[22.11.1.02,22.03,19.04,34.05,17.06,14.07,33.08,13.028,36.030,35]hexatriaconta-2(22),3(19),5(17),6(14),8(13),9,11,15,20,24(36),25,27,30(35),31,33-pentadecaene?

The IUPAC name of 11-methyl-18,23,29-tris(4-methylphenyl)-1,4-diaza-7,18,23,29-tetraboraundecacyclo[22.11.1.02,22.03,19.04,34.05,17.06,14.07,33.08,13.028,36.030,35]hexatriaconta-2(22),3(19),5(17),6(14),8(13),9,11,15,20,24(36),25,27,30(35),31,33-pentadecaene (CID 174026174) is 11-methyl-18,23,29-tris(4-methylphenyl)-1,4-diaza-7,18,23,29-tetraboraundecacyclo[22.11.1.02,22.03,19.04,34.05,17.06,14.07,33.08,13.028,36.030,35]hexatriaconta-2(22),3(19),5(17),6(14),8(13),9,11,15,20,24(36),25,27,30(35),31,33-pentadecaene.

What is the SMILES notation for 11-methyl-18,23,29-tris(4-methylphenyl)-1,4-diaza-7,18,23,29-tetraboraundecacyclo[22.11.1.02,22.03,19.04,34.05,17.06,14.07,33.08,13.028,36.030,35]hexatriaconta-2(22),3(19),5(17),6(14),8(13),9,11,15,20,24(36),25,27,30(35),31,33-pentadecaene?

The canonical SMILES for 11-methyl-18,23,29-tris(4-methylphenyl)-1,4-diaza-7,18,23,29-tetraboraundecacyclo[22.11.1.02,22.03,19.04,34.05,17.06,14.07,33.08,13.028,36.030,35]hexatriaconta-2(22),3(19),5(17),6(14),8(13),9,11,15,20,24(36),25,27,30(35),31,33-pentadecaene is Cc1ccc(B2c3cccc4c3N3c5c2ccc2c5N5c6c(ccc7c6B(c6ccc(C)cc6-7)c6ccc(c3c65)B4c3ccc(C)cc3)B2c2ccc(C)cc2)cc1.

What is the InChIKey of 11-methyl-18,23,29-tris(4-methylphenyl)-1,4-diaza-7,18,23,29-tetraboraundecacyclo[22.11.1.02,22.03,19.04,34.05,17.06,14.07,33.08,13.028,36.030,35]hexatriaconta-2(22),3(19),5(17),6(14),8(13),9,11,15,20,24(36),25,27,30(35),31,33-pentadecaene?

The InChIKey is UQFOFTGLGPZISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36B4N2/c1-29-8-15-33(16-9-29)53-39-6-5-7-40-47(39)57-49-42(53)24-25-44-51(49)58-48-41(55(44)35-19-12-31(3)13-20-35)23-21-36-37-28-32(4)14-22-38(37)56(46(36)48)45-27-26-43(50(57)52(45)58)54(40)34-17-10-30(2)11-18-34/h5-28H,1-4H3.

What are the key properties of 11-methyl-18,23,29-tris(4-methylphenyl)-1,4-diaza-7,18,23,29-tetraboraundecacyclo[22.11.1.02,22.03,19.04,34.05,17.06,14.07,33.08,13.028,36.030,35]hexatriaconta-2(22),3(19),5(17),6(14),8(13),9,11,15,20,24(36),25,27,30(35),31,33-pentadecaene?

11-methyl-18,23,29-tris(4-methylphenyl)-1,4-diaza-7,18,23,29-tetraboraundecacyclo[22.11.1.02,22.03,19.04,34.05,17.06,14.07,33.08,13.028,36.030,35]hexatriaconta-2(22),3(19),5(17),6(14),8(13),9,11,15,20,24(36),25,27,30(35),31,33-pentadecaene has a molecular weight of 732.12 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 11-methyl-18,23,29-tris(4-methylphenyl)-1,4-diaza-7,18,23,29-tetraboraundecacyclo[22.11.1.02,22.03,19.04,34.05,17.06,14.07,33.08,13.028,36.030,35]hexatriaconta-2(22),3(19),5(17),6(14),8(13),9,11,15,20,24(36),25,27,30(35),31,33-pentadecaene is sourced from PubChem (CID 174026174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).