11,16,22,30-tetrakis(4-methylphenyl)-11,16,22,30-tetraza-1,4-diboranonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-2(15),3(12),5,7,9,13,17,19,21(29),23(28),24,26-dodecaene

C52H38B2N4 — CID 174026103

About 11,16,22,30-tetrakis(4-methylphenyl)-11,16,22,30-tetraza-1,4-diboranonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-2(15),3(12),5,7,9,13,17,19,21(29),23(28),24,26-dodecaene

11,16,22,30-tetrakis(4-methylphenyl)-11,16,22,30-tetraza-1,4-diboranonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-2(15),3(12),5,7,9,13,17,19,21(29),23(28),24,26-dodecaene (PubChem CID 174026103) has the molecular formula C52H38B2N4 and a molecular weight of 740.53 g/mol. Its IUPAC name is 11,16,22,30-tetrakis(4-methylphenyl)-11,16,22,30-tetraza-1,4-diboranonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-2(15),3(12),5,7,9,13,17,19,21(29),23(28),24,26-dodecaene.

Molecular Properties

• Compound Name: 11,16,22,30-tetrakis(4-methylphenyl)-11,16,22,30-tetraza-1,4-diboranonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-2(15),3(12),5,7,9,13,17,19,21(29),23(28),24,26-dodecaene
• PubChem CID: 174026103
• Molecular Formula: C52H38B2N4
• Molecular Weight: 740.53 g/mol
• Exact Mass: 740.33
• IUPAC Name: 11,16,22,30-tetrakis(4-methylphenyl)-11,16,22,30-tetraza-1,4-diboranonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-2(15),3(12),5,7,9,13,17,19,21(29),23(28),24,26-dodecaene
• SMILES: Cc1ccc(N2c3cccc4c3B3c5c2ccc2c5B5c6c(cccc6N(c6ccc(C)cc6)c6ccc(c3c65)N4c3ccc(C)cc3)N2c2ccc(C)cc2)cc1
• InChI: InChI=1S/C52H38B2N4/c1-31-11-19-35(20-12-31)55-39-7-5-8-40-47(39)53-49-43(55)27-28-44-50(49)54-48-41(57(44)37-23-15-33(3)16-24-37)9-6-10-42(48)58(38-25-17-34(4)18-26-38)46-30-29-45(51(53)52(46)54)56(40)36-21-13-32(2)14-22-36/h5-30H,1-4H3
• InChIKey: DPZFFBAWHYSFOR-UHFFFAOYSA-N
• XLogP: 9.40
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	740.53
LogP ≤ 5	9.40
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 11,16,22,30-tetrakis(4-methylphenyl)-11,16,22,30-tetraza-1,4-diboranonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-2(15),3(12),5,7,9,13,17,19,21(29),23(28),24,26-dodecaene?

The IUPAC name of 11,16,22,30-tetrakis(4-methylphenyl)-11,16,22,30-tetraza-1,4-diboranonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-2(15),3(12),5,7,9,13,17,19,21(29),23(28),24,26-dodecaene (CID 174026103) is 11,16,22,30-tetrakis(4-methylphenyl)-11,16,22,30-tetraza-1,4-diboranonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-2(15),3(12),5,7,9,13,17,19,21(29),23(28),24,26-dodecaene.

What is the SMILES notation for 11,16,22,30-tetrakis(4-methylphenyl)-11,16,22,30-tetraza-1,4-diboranonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-2(15),3(12),5,7,9,13,17,19,21(29),23(28),24,26-dodecaene?

The canonical SMILES for 11,16,22,30-tetrakis(4-methylphenyl)-11,16,22,30-tetraza-1,4-diboranonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-2(15),3(12),5,7,9,13,17,19,21(29),23(28),24,26-dodecaene is Cc1ccc(N2c3cccc4c3B3c5c2ccc2c5B5c6c(cccc6N(c6ccc(C)cc6)c6ccc(c3c65)N4c3ccc(C)cc3)N2c2ccc(C)cc2)cc1.

What is the InChIKey of 11,16,22,30-tetrakis(4-methylphenyl)-11,16,22,30-tetraza-1,4-diboranonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-2(15),3(12),5,7,9,13,17,19,21(29),23(28),24,26-dodecaene?

The InChIKey is DPZFFBAWHYSFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38B2N4/c1-31-11-19-35(20-12-31)55-39-7-5-8-40-47(39)53-49-43(55)27-28-44-50(49)54-48-41(57(44)37-23-15-33(3)16-24-37)9-6-10-42(48)58(38-25-17-34(4)18-26-38)46-30-29-45(51(53)52(46)54)56(40)36-21-13-32(2)14-22-36/h5-30H,1-4H3.

What are the key properties of 11,16,22,30-tetrakis(4-methylphenyl)-11,16,22,30-tetraza-1,4-diboranonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-2(15),3(12),5,7,9,13,17,19,21(29),23(28),24,26-dodecaene?

11,16,22,30-tetrakis(4-methylphenyl)-11,16,22,30-tetraza-1,4-diboranonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-2(15),3(12),5,7,9,13,17,19,21(29),23(28),24,26-dodecaene has a molecular weight of 740.53 g/mol, XLogP of 9.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 11,16,22,30-tetrakis(4-methylphenyl)-11,16,22,30-tetraza-1,4-diboranonacyclo[15.11.1.16,26.02,15.03,12.04,27.05,10.021,29.023,28]triaconta-2(15),3(12),5,7,9,13,17,19,21(29),23(28),24,26-dodecaene is sourced from PubChem (CID 174026103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).