3,19-dimethyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,14-diaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-8,14-diphenyl-8,10,12,14-tetraza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,10,14-triaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,11,14-triaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

C154H121B5N16+2 — CID 161402716

About 3,19-dimethyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,14-diaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-8,14-diphenyl-8,10,12,14-tetraza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,10,14-triaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,11,14-triaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

3,19-dimethyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,14-diaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-8,14-diphenyl-8,10,12,14-tetraza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,10,14-triaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,11,14-triaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (PubChem CID 161402716) has the molecular formula C154H121B5N16+2 and a molecular weight of 2249.83 g/mol. Its IUPAC name is 3,19-dimethyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,14-diaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-8,14-diphenyl-8,10,12,14-tetraza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,10,14-triaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,11,14-triaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.

Molecular Properties

• Compound Name: 3,19-dimethyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,14-diaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-8,14-diphenyl-8,10,12,14-tetraza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,10,14-triaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,11,14-triaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
• PubChem CID: 161402716
• Molecular Formula: C154H121B5N16+2
• Molecular Weight: 2249.83 g/mol
• Exact Mass: 2249.04
• IUPAC Name: 3,19-dimethyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,14-diaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-8,14-diphenyl-8,10,12,14-tetraza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,10,14-triaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,11,14-triaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
• SMILES: C[n+]1cccc2c1B1c3c(cccc3N(c3ccccc3)c3ccc[n+](C)c31)N2c1ccccc1.Cc1cccc2c1B1c3c(C)cccc3N(c3ccccc3)c3cccc(c31)N2c1ccccc1.Cc1cccc2c1B1c3c(C)cccc3N(c3ccccc3)c3cncc(c31)N2c1ccccc1.Cc1cccc2c1B1c3c(C)cccc3N(c3ccccc3)c3nccc(c31)N2c1ccccc1.Cc1cccc2c1B1c3c(C)cccc3N(c3ccccc3)c3ncnc(c31)N2c1ccccc1
• InChI: InChI=1S/C32H25BN2.2C31H24BN3.C30H25BN4.C30H23BN4/c1-22-12-9-18-26-30(22)33-31-23(2)13-10-19-27(31)35(25-16-7-4-8-17-25)29-21-11-20-28(32(29)33)34(26)24-14-5-3-6-15-24;1-21-11-9-17-25-29(21)32-30-22(2)12-10-18-26(30)35(24-15-7-4-8-16-24)28-20-33-19-27(31(28)32)34(25)23-13-5-3-6-14-23;1-21-11-9-17-25-28(21)32-29-22(2)12-10-18-26(29)35(24-15-7-4-8-16-24)31-30(32)27(19-20-33-31)34(25)23-13-5-3-6-14-23;1-32-20-10-18-26-29(32)31-28-24(34(26)22-12-5-3-6-13-22)16-9-17-25(28)35(23-14-7-4-8-15-23)27-19-11-21-33(2)30(27)31;1-20-11-9-17-24-26(20)31-27-21(2)12-10-18-25(27)35(23-15-7-4-8-16-23)30-28(31)29(32-19-33-30)34(24)22-13-5-3-6-14-22/h3-21H,1-2H3;2*3-20H,1-2H3;3-21H,1-2H3;3-19H,1-2H3/q;;;+2
• InChIKey: UVPUVFVSHOGHJY-UHFFFAOYSA-N
• XLogP: 26.54
• TPSA: 91.72 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2249.83
LogP ≤ 5	26.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,19-dimethyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,14-diaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-8,14-diphenyl-8,10,12,14-tetraza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,10,14-triaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,11,14-triaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The IUPAC name of 3,19-dimethyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,14-diaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-8,14-diphenyl-8,10,12,14-tetraza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,10,14-triaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,11,14-triaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (CID 161402716) is 3,19-dimethyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,14-diaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-8,14-diphenyl-8,10,12,14-tetraza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,10,14-triaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,11,14-triaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.

What is the SMILES notation for 3,19-dimethyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,14-diaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-8,14-diphenyl-8,10,12,14-tetraza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,10,14-triaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,11,14-triaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The canonical SMILES for 3,19-dimethyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,14-diaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-8,14-diphenyl-8,10,12,14-tetraza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,10,14-triaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,11,14-triaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is C[n+]1cccc2c1B1c3c(cccc3N(c3ccccc3)c3ccc[n+](C)c31)N2c1ccccc1.Cc1cccc2c1B1c3c(C)cccc3N(c3ccccc3)c3cccc(c31)N2c1ccccc1.Cc1cccc2c1B1c3c(C)cccc3N(c3ccccc3)c3cncc(c31)N2c1ccccc1.Cc1cccc2c1B1c3c(C)cccc3N(c3ccccc3)c3nccc(c31)N2c1ccccc1.Cc1cccc2c1B1c3c(C)cccc3N(c3ccccc3)c3ncnc(c31)N2c1ccccc1.

What is the InChIKey of 3,19-dimethyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,14-diaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-8,14-diphenyl-8,10,12,14-tetraza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,10,14-triaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,11,14-triaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The InChIKey is UVPUVFVSHOGHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25BN2.2C31H24BN3.C30H25BN4.C30H23BN4/c1-22-12-9-18-26-30(22)33-31-23(2)13-10-19-27(31)35(25-16-7-4-8-17-25)29-21-11-20-28(32(29)33)34(26)24-14-5-3-6-15-24;1-21-11-9-17-25-29(21)32-30-22(2)12-10-18-26(30)35(24-15-7-4-8-16-24)28-20-33-19-27(31(28)32)34(25)23-13-5-3-6-14-23;1-21-11-9-17-25-28(21)32-29-22(2)12-10-18-26(29)35(24-15-7-4-8-16-24)31-30(32)27(19-20-33-31)34(25)23-13-5-3-6-14-23;1-32-20-10-18-26-29(32)31-28-24(34(26)22-12-5-3-6-13-22)16-9-17-25(28)35(23-14-7-4-8-15-23)27-19-11-21-33(2)30(27)31;1-20-11-9-17-24-26(20)31-27-21(2)12-10-18-25(27)35(23-15-7-4-8-16-23)30-28(31)29(32-19-33-30)34(24)22-13-5-3-6-14-22/h3-21H,1-2H3;2*3-20H,1-2H3;3-21H,1-2H3;3-19H,1-2H3/q;;;+2;.

What are the key properties of 3,19-dimethyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,14-diaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-8,14-diphenyl-8,10,12,14-tetraza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,10,14-triaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,11,14-triaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

3,19-dimethyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,14-diaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-8,14-diphenyl-8,10,12,14-tetraza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,10,14-triaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,11,14-triaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene has a molecular weight of 2249.83 g/mol, XLogP of 26.54, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3,19-dimethyl-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,14-diaza-3,19-diazonia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene;3,19-dimethyl-8,14-diphenyl-8,10,12,14-tetraza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,10,14-triaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;3,19-dimethyl-8,14-diphenyl-8,11,14-triaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 161402716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).