6-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-10-(9-phenylcarbazol-3-yl)-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7(12),8,10,16,18,20(24),21-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-12-aza-15-silahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7,9,11,16,18,20(24),21-undecaene

C144H100N12Si — CID 162156940

About 6-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-10-(9-phenylcarbazol-3-yl)-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7(12),8,10,16,18,20(24),21-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-12-aza-15-silahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7,9,11,16,18,20(24),21-undecaene

6-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-10-(9-phenylcarbazol-3-yl)-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7(12),8,10,16,18,20(24),21-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-12-aza-15-silahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7,9,11,16,18,20(24),21-undecaene (PubChem CID 162156940) has the molecular formula C144H100N12Si and a molecular weight of 2026.55 g/mol. Its IUPAC name is 6-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-10-(9-phenylcarbazol-3-yl)-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7(12),8,10,16,18,20(24),21-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-12-aza-15-silahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7,9,11,16,18,20(24),21-undecaene.

Molecular Properties

• Compound Name: 6-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-10-(9-phenylcarbazol-3-yl)-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7(12),8,10,16,18,20(24),21-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-12-aza-15-silahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7,9,11,16,18,20(24),21-undecaene
• PubChem CID: 162156940
• Molecular Formula: C144H100N12Si
• Molecular Weight: 2026.55 g/mol
• Exact Mass: 2024.80
• IUPAC Name: 6-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-10-(9-phenylcarbazol-3-yl)-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7(12),8,10,16,18,20(24),21-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-12-aza-15-silahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7,9,11,16,18,20(24),21-undecaene
• SMILES: CC1(C)c2cccc3cccc(c23)-c2ccc3c(c21)c1cc(-c2ccc4c(c2)c2ccccc2n4-c2ccccc2)ccc1n3-c1nc(-c2ccccc2)cc(-c2ccccc2)n1.CC1(C)c2cccc3cccc(c23)-c2ccc3c(c21)c1ccccc1n3-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.C[Si]1(C)c2cccc3cccc(c23)-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21
• InChI: InChI=1S/C59H40N4.C46H32N4.C39H28N4Si/c1-59(2)48-26-15-21-39-20-14-25-44(55(39)48)45-30-33-54-56(57(45)59)47-35-41(40-28-31-52-46(34-40)43-24-12-13-27-51(43)62(52)42-22-10-5-11-23-42)29-32-53(47)63(54)58-60-49(37-16-6-3-7-17-37)36-50(61-58)38-18-8-4-9-19-38;1-46(2)37-24-13-19-29-18-12-23-34(40(29)37)35-26-27-39-41(42(35)46)36-22-9-10-25-38(36)50(39)33-21-11-20-32(28-33)45-48-43(30-14-5-3-6-15-30)47-44(49-45)31-16-7-4-8-17-31;1-44(2)33-22-12-18-25-17-11-20-29(34(25)33)31-24-23-30-28-19-9-10-21-32(28)43(35(30)36(31)44)39-41-37(26-13-5-3-6-14-26)40-38(42-39)27-15-7-4-8-16-27/h3-36H,1-2H3;3-28H,1-2H3;3-24H,1-2H3
• InChIKey: ZLYKEVQUBLUGOA-UHFFFAOYSA-N
• XLogP: 34.82
• TPSA: 122.84 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2026.55
LogP ≤ 5	34.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-10-(9-phenylcarbazol-3-yl)-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7(12),8,10,16,18,20(24),21-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-12-aza-15-silahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7,9,11,16,18,20(24),21-undecaene?

The IUPAC name of 6-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-10-(9-phenylcarbazol-3-yl)-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7(12),8,10,16,18,20(24),21-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-12-aza-15-silahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7,9,11,16,18,20(24),21-undecaene (CID 162156940) is 6-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-10-(9-phenylcarbazol-3-yl)-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7(12),8,10,16,18,20(24),21-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-12-aza-15-silahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7,9,11,16,18,20(24),21-undecaene.

What is the SMILES notation for 6-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-10-(9-phenylcarbazol-3-yl)-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7(12),8,10,16,18,20(24),21-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-12-aza-15-silahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7,9,11,16,18,20(24),21-undecaene?

The canonical SMILES for 6-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-10-(9-phenylcarbazol-3-yl)-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7(12),8,10,16,18,20(24),21-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-12-aza-15-silahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7,9,11,16,18,20(24),21-undecaene is CC1(C)c2cccc3cccc(c23)-c2ccc3c(c21)c1cc(-c2ccc4c(c2)c2ccccc2n4-c2ccccc2)ccc1n3-c1nc(-c2ccccc2)cc(-c2ccccc2)n1.CC1(C)c2cccc3cccc(c23)-c2ccc3c(c21)c1ccccc1n3-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.C[Si]1(C)c2cccc3cccc(c23)-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21.

What is the InChIKey of 6-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-10-(9-phenylcarbazol-3-yl)-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7(12),8,10,16,18,20(24),21-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-12-aza-15-silahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7,9,11,16,18,20(24),21-undecaene?

The InChIKey is ZLYKEVQUBLUGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N4.C46H32N4.C39H28N4Si/c1-59(2)48-26-15-21-39-20-14-25-44(55(39)48)45-30-33-54-56(57(45)59)47-35-41(40-28-31-52-46(34-40)43-24-12-13-27-51(43)62(52)42-22-10-5-11-23-42)29-32-53(47)63(54)58-60-49(37-16-6-3-7-17-37)36-50(61-58)38-18-8-4-9-19-38;1-46(2)37-24-13-19-29-18-12-23-34(40(29)37)35-26-27-39-41(42(35)46)36-22-9-10-25-38(36)50(39)33-21-11-20-32(28-33)45-48-43(30-14-5-3-6-15-30)47-44(49-45)31-16-7-4-8-17-31;1-44(2)33-22-12-18-25-17-11-20-29(34(25)33)31-24-23-30-28-19-9-10-21-32(28)43(35(30)36(31)44)39-41-37(26-13-5-3-6-14-26)40-38(42-39)27-15-7-4-8-16-27/h3-36H,1-2H3;3-28H,1-2H3;3-24H,1-2H3.

What are the key properties of 6-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-10-(9-phenylcarbazol-3-yl)-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7(12),8,10,16,18,20(24),21-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-12-aza-15-silahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7,9,11,16,18,20(24),21-undecaene?

6-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-10-(9-phenylcarbazol-3-yl)-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7(12),8,10,16,18,20(24),21-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-12-aza-15-silahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7,9,11,16,18,20(24),21-undecaene has a molecular weight of 2026.55 g/mol, XLogP of 34.82, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-10-(9-phenylcarbazol-3-yl)-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7(12),8,10,16,18,20(24),21-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-12-aza-15-silahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15,15-dimethyl-6-azahexacyclo[14.7.1.02,14.05,13.07,12.020,24]tetracosa-1(23),2(14),3,5(13),7,9,11,16,18,20(24),21-undecaene is sourced from PubChem (CID 162156940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).