15,17-bis(2,6-dimethylphenyl)-14,16-dimethyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;14,16-dimethyl-15,17-diphenyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;15,17-dimethyl-14,16-diphenyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;14,15,16,17-tetramethyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene

C86H92B12N20 — CID 159365176

About 15,17-bis(2,6-dimethylphenyl)-14,16-dimethyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;14,16-dimethyl-15,17-diphenyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;15,17-dimethyl-14,16-diphenyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;14,15,16,17-tetramethyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene

15,17-bis(2,6-dimethylphenyl)-14,16-dimethyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;14,16-dimethyl-15,17-diphenyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;15,17-dimethyl-14,16-diphenyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;14,15,16,17-tetramethyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene (PubChem CID 159365176) has the molecular formula C86H92B12N20 and a molecular weight of 1535.57 g/mol. Its IUPAC name is 15,17-bis(2,6-dimethylphenyl)-14,16-dimethyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;14,16-dimethyl-15,17-diphenyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;15,17-dimethyl-14,16-diphenyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;14,15,16,17-tetramethyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene.

Molecular Properties

• Compound Name: 15,17-bis(2,6-dimethylphenyl)-14,16-dimethyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;14,16-dimethyl-15,17-diphenyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;15,17-dimethyl-14,16-diphenyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;14,15,16,17-tetramethyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene
• PubChem CID: 159365176
• Molecular Formula: C86H92B12N20
• Molecular Weight: 1535.57 g/mol
• Exact Mass: 1536.89
• IUPAC Name: 15,17-bis(2,6-dimethylphenyl)-14,16-dimethyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;14,16-dimethyl-15,17-diphenyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;15,17-dimethyl-14,16-diphenyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;14,15,16,17-tetramethyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene
• SMILES: CB1N(C)B(C)N2B(N1C)n1ccnc1-c1ccccc12.CB1N(c2ccccc2)B(C)N2B(N1c1ccccc1)n1ccnc1-c1ccccc12.CB1N2B(N(c3c(C)cccc3C)B(C)N1c1c(C)cccc1C)n1ccnc1-c1ccccc12.CN1B(c2ccccc2)N(C)B2N(B1c1ccccc1)c1ccccc1-c1nccn12
• InChI: InChI=1S/C27H30B3N5.2C23H22B3N5.C13H18B3N5/c1-19-11-9-12-20(2)25(19)34-28(5)33-24-16-8-7-15-23(24)27-31-17-18-32(27)30(33)35(29(34)6)26-21(3)13-10-14-22(26)4;1-28-24(19-11-5-3-6-12-19)29(2)26-30-18-17-27-23(30)21-15-9-10-16-22(21)31(26)25(28)20-13-7-4-8-14-20;1-24-29(19-11-5-3-6-12-19)25(2)31-22-16-10-9-15-21(22)23-27-17-18-28(23)26(31)30(24)20-13-7-4-8-14-20;1-14-18(3)15(2)21-12-8-6-5-7-11(12)13-17-9-10-20(13)16(21)19(14)4/h7-18H,1-6H3;2*3-18H,1-2H3;5-10H,1-4H3
• InChIKey: LJANOJHUBHZENR-UHFFFAOYSA-N
• XLogP: 13.35
• TPSA: 110.16 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 6
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1535.57
LogP ≤ 5	13.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15,17-bis(2,6-dimethylphenyl)-14,16-dimethyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;14,16-dimethyl-15,17-diphenyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;15,17-dimethyl-14,16-diphenyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;14,15,16,17-tetramethyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene?

The IUPAC name of 15,17-bis(2,6-dimethylphenyl)-14,16-dimethyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;14,16-dimethyl-15,17-diphenyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;15,17-dimethyl-14,16-diphenyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;14,15,16,17-tetramethyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene (CID 159365176) is 15,17-bis(2,6-dimethylphenyl)-14,16-dimethyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;14,16-dimethyl-15,17-diphenyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;15,17-dimethyl-14,16-diphenyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;14,15,16,17-tetramethyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene.

What is the SMILES notation for 15,17-bis(2,6-dimethylphenyl)-14,16-dimethyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;14,16-dimethyl-15,17-diphenyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;15,17-dimethyl-14,16-diphenyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;14,15,16,17-tetramethyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene?

The canonical SMILES for 15,17-bis(2,6-dimethylphenyl)-14,16-dimethyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;14,16-dimethyl-15,17-diphenyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;15,17-dimethyl-14,16-diphenyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;14,15,16,17-tetramethyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene is CB1N(C)B(C)N2B(N1C)n1ccnc1-c1ccccc12.CB1N(c2ccccc2)B(C)N2B(N1c1ccccc1)n1ccnc1-c1ccccc12.CB1N2B(N(c3c(C)cccc3C)B(C)N1c1c(C)cccc1C)n1ccnc1-c1ccccc12.CN1B(c2ccccc2)N(C)B2N(B1c1ccccc1)c1ccccc1-c1nccn12.

What is the InChIKey of 15,17-bis(2,6-dimethylphenyl)-14,16-dimethyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;14,16-dimethyl-15,17-diphenyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;15,17-dimethyl-14,16-diphenyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;14,15,16,17-tetramethyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene?

The InChIKey is LJANOJHUBHZENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30B3N5.2C23H22B3N5.C13H18B3N5/c1-19-11-9-12-20(2)25(19)34-28(5)33-24-16-8-7-15-23(24)27-31-17-18-32(27)30(33)35(29(34)6)26-21(3)13-10-14-22(26)4;1-28-24(19-11-5-3-6-12-19)29(2)26-30-18-17-27-23(30)21-15-9-10-16-22(21)31(26)25(28)20-13-7-4-8-14-20;1-24-29(19-11-5-3-6-12-19)25(2)31-22-16-10-9-15-21(22)23-27-17-18-28(23)26(31)30(24)20-13-7-4-8-14-20;1-14-18(3)15(2)21-12-8-6-5-7-11(12)13-17-9-10-20(13)16(21)19(14)4/h7-18H,1-6H3;2*3-18H,1-2H3;5-10H,1-4H3.

What are the key properties of 15,17-bis(2,6-dimethylphenyl)-14,16-dimethyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;14,16-dimethyl-15,17-diphenyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;15,17-dimethyl-14,16-diphenyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;14,15,16,17-tetramethyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene?

15,17-bis(2,6-dimethylphenyl)-14,16-dimethyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;14,16-dimethyl-15,17-diphenyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;15,17-dimethyl-14,16-diphenyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;14,15,16,17-tetramethyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene has a molecular weight of 1535.57 g/mol, XLogP of 13.35, 6 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 15,17-bis(2,6-dimethylphenyl)-14,16-dimethyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;14,16-dimethyl-15,17-diphenyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;15,17-dimethyl-14,16-diphenyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene;14,15,16,17-tetramethyl-2,5,13,15,17-pentaza-1,14,16-triboratetracyclo[11.4.0.02,6.07,12]heptadeca-3,5,7,9,11-pentaene is sourced from PubChem (CID 159365176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).