15-(4,6-diphenylpyrimidin-2-yl)-24,24-dimethyl-1,15-diazaoctacyclo[17.11.1.02,18.04,16.05,14.06,11.023,31.025,30]hentriaconta-2,4(16),5(14),6,8,10,12,17,19(31),20,22,25,27,29-tetradecaene;26-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,10-dimethyl-17,26-diazaoctacyclo[15.13.1.02,7.09,31.011,16.018,30.019,27.020,25]hentriaconta-1(31),2,4,6,8,11,13,15,18(30),19(27),20,22,24,28-tetradecaene;26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10-dimethyl-17,26-diazaoctacyclo[15.13.1.02,7.09,31.011,16.018,30.019,27.020,25]hentriaconta-1(31),2,4,6,8,11,13,15,18(30),19(27),20,22,24,28-tetradecaene

C146H99N13 — CID 165009508

About 15-(4,6-diphenylpyrimidin-2-yl)-24,24-dimethyl-1,15-diazaoctacyclo[17.11.1.02,18.04,16.05,14.06,11.023,31.025,30]hentriaconta-2,4(16),5(14),6,8,10,12,17,19(31),20,22,25,27,29-tetradecaene;26-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,10-dimethyl-17,26-diazaoctacyclo[15.13.1.02,7.09,31.011,16.018,30.019,27.020,25]hentriaconta-1(31),2,4,6,8,11,13,15,18(30),19(27),20,22,24,28-tetradecaene;26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10-dimethyl-17,26-diazaoctacyclo[15.13.1.02,7.09,31.011,16.018,30.019,27.020,25]hentriaconta-1(31),2,4,6,8,11,13,15,18(30),19(27),20,22,24,28-tetradecaene

15-(4,6-diphenylpyrimidin-2-yl)-24,24-dimethyl-1,15-diazaoctacyclo[17.11.1.02,18.04,16.05,14.06,11.023,31.025,30]hentriaconta-2,4(16),5(14),6,8,10,12,17,19(31),20,22,25,27,29-tetradecaene;26-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,10-dimethyl-17,26-diazaoctacyclo[15.13.1.02,7.09,31.011,16.018,30.019,27.020,25]hentriaconta-1(31),2,4,6,8,11,13,15,18(30),19(27),20,22,24,28-tetradecaene;26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10-dimethyl-17,26-diazaoctacyclo[15.13.1.02,7.09,31.011,16.018,30.019,27.020,25]hentriaconta-1(31),2,4,6,8,11,13,15,18(30),19(27),20,22,24,28-tetradecaene (PubChem CID 165009508) has the molecular formula C146H99N13 and a molecular weight of 2035.49 g/mol. Its IUPAC name is 15-(4,6-diphenylpyrimidin-2-yl)-24,24-dimethyl-1,15-diazaoctacyclo[17.11.1.02,18.04,16.05,14.06,11.023,31.025,30]hentriaconta-2,4(16),5(14),6,8,10,12,17,19(31),20,22,25,27,29-tetradecaene;26-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,10-dimethyl-17,26-diazaoctacyclo[15.13.1.02,7.09,31.011,16.018,30.019,27.020,25]hentriaconta-1(31),2,4,6,8,11,13,15,18(30),19(27),20,22,24,28-tetradecaene;26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10-dimethyl-17,26-diazaoctacyclo[15.13.1.02,7.09,31.011,16.018,30.019,27.020,25]hentriaconta-1(31),2,4,6,8,11,13,15,18(30),19(27),20,22,24,28-tetradecaene.

Molecular Properties

• Compound Name: 15-(4,6-diphenylpyrimidin-2-yl)-24,24-dimethyl-1,15-diazaoctacyclo[17.11.1.02,18.04,16.05,14.06,11.023,31.025,30]hentriaconta-2,4(16),5(14),6,8,10,12,17,19(31),20,22,25,27,29-tetradecaene;26-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,10-dimethyl-17,26-diazaoctacyclo[15.13.1.02,7.09,31.011,16.018,30.019,27.020,25]hentriaconta-1(31),2,4,6,8,11,13,15,18(30),19(27),20,22,24,28-tetradecaene;26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10-dimethyl-17,26-diazaoctacyclo[15.13.1.02,7.09,31.011,16.018,30.019,27.020,25]hentriaconta-1(31),2,4,6,8,11,13,15,18(30),19(27),20,22,24,28-tetradecaene
• PubChem CID: 165009508
• Molecular Formula: C146H99N13
• Molecular Weight: 2035.49 g/mol
• Exact Mass: 2033.81
• IUPAC Name: 15-(4,6-diphenylpyrimidin-2-yl)-24,24-dimethyl-1,15-diazaoctacyclo[17.11.1.02,18.04,16.05,14.06,11.023,31.025,30]hentriaconta-2,4(16),5(14),6,8,10,12,17,19(31),20,22,25,27,29-tetradecaene;26-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,10-dimethyl-17,26-diazaoctacyclo[15.13.1.02,7.09,31.011,16.018,30.019,27.020,25]hentriaconta-1(31),2,4,6,8,11,13,15,18(30),19(27),20,22,24,28-tetradecaene;26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10-dimethyl-17,26-diazaoctacyclo[15.13.1.02,7.09,31.011,16.018,30.019,27.020,25]hentriaconta-1(31),2,4,6,8,11,13,15,18(30),19(27),20,22,24,28-tetradecaene
• SMILES: CC1(C)c2ccccc2-n2c3c1cc1ccccc1c3c1ccc3c(c4ccccc4n3-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)c12.CC1(C)c2ccccc2-n2c3c1cc1ccccc1c3c1ccc3c(c4ccccc4n3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c12.CC1(C)c2ccccc2-n2c3cc4c5c6ccccc6ccc5n(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4cc3c3cccc1c32
• InChI: InChI=1S/C53H36N4.C47H32N4.C46H31N5/c1-53(2)41-22-12-14-24-46(41)57-50-40(48-38-20-10-9-19-36(38)31-42(53)51(48)57)29-30-47-49(50)39-21-11-13-23-45(39)56(47)37-27-25-35(26-28-37)52-54-43(33-15-5-3-6-16-33)32-44(55-52)34-17-7-4-8-18-34;1-47(2)36-21-11-12-23-40(36)50-42-27-35-43(26-34(42)33-20-13-22-37(47)45(33)50)51(41-25-24-29-14-9-10-19-32(29)44(35)41)46-48-38(30-15-5-3-6-16-30)28-39(49-46)31-17-7-4-8-18-31;1-46(2)34-22-12-14-24-37(34)51-41-33(39-31-20-10-9-19-30(31)27-35(46)42(39)51)25-26-38-40(41)32-21-11-13-23-36(32)50(38)45-48-43(28-15-5-3-6-16-28)47-44(49-45)29-17-7-4-8-18-29/h3-32H,1-2H3;3-28H,1-2H3;3-27H,1-2H3
• InChIKey: JMCBJGXSCMWYLS-UHFFFAOYSA-N
• XLogP: 36.45
• TPSA: 119.81 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2035.49
LogP ≤ 5	36.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 15-(4,6-diphenylpyrimidin-2-yl)-24,24-dimethyl-1,15-diazaoctacyclo[17.11.1.02,18.04,16.05,14.06,11.023,31.025,30]hentriaconta-2,4(16),5(14),6,8,10,12,17,19(31),20,22,25,27,29-tetradecaene;26-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,10-dimethyl-17,26-diazaoctacyclo[15.13.1.02,7.09,31.011,16.018,30.019,27.020,25]hentriaconta-1(31),2,4,6,8,11,13,15,18(30),19(27),20,22,24,28-tetradecaene;26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10-dimethyl-17,26-diazaoctacyclo[15.13.1.02,7.09,31.011,16.018,30.019,27.020,25]hentriaconta-1(31),2,4,6,8,11,13,15,18(30),19(27),20,22,24,28-tetradecaene?

The IUPAC name of 15-(4,6-diphenylpyrimidin-2-yl)-24,24-dimethyl-1,15-diazaoctacyclo[17.11.1.02,18.04,16.05,14.06,11.023,31.025,30]hentriaconta-2,4(16),5(14),6,8,10,12,17,19(31),20,22,25,27,29-tetradecaene;26-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,10-dimethyl-17,26-diazaoctacyclo[15.13.1.02,7.09,31.011,16.018,30.019,27.020,25]hentriaconta-1(31),2,4,6,8,11,13,15,18(30),19(27),20,22,24,28-tetradecaene;26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10-dimethyl-17,26-diazaoctacyclo[15.13.1.02,7.09,31.011,16.018,30.019,27.020,25]hentriaconta-1(31),2,4,6,8,11,13,15,18(30),19(27),20,22,24,28-tetradecaene (CID 165009508) is 15-(4,6-diphenylpyrimidin-2-yl)-24,24-dimethyl-1,15-diazaoctacyclo[17.11.1.02,18.04,16.05,14.06,11.023,31.025,30]hentriaconta-2,4(16),5(14),6,8,10,12,17,19(31),20,22,25,27,29-tetradecaene;26-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,10-dimethyl-17,26-diazaoctacyclo[15.13.1.02,7.09,31.011,16.018,30.019,27.020,25]hentriaconta-1(31),2,4,6,8,11,13,15,18(30),19(27),20,22,24,28-tetradecaene;26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10-dimethyl-17,26-diazaoctacyclo[15.13.1.02,7.09,31.011,16.018,30.019,27.020,25]hentriaconta-1(31),2,4,6,8,11,13,15,18(30),19(27),20,22,24,28-tetradecaene.

What is the SMILES notation for 15-(4,6-diphenylpyrimidin-2-yl)-24,24-dimethyl-1,15-diazaoctacyclo[17.11.1.02,18.04,16.05,14.06,11.023,31.025,30]hentriaconta-2,4(16),5(14),6,8,10,12,17,19(31),20,22,25,27,29-tetradecaene;26-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,10-dimethyl-17,26-diazaoctacyclo[15.13.1.02,7.09,31.011,16.018,30.019,27.020,25]hentriaconta-1(31),2,4,6,8,11,13,15,18(30),19(27),20,22,24,28-tetradecaene;26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10-dimethyl-17,26-diazaoctacyclo[15.13.1.02,7.09,31.011,16.018,30.019,27.020,25]hentriaconta-1(31),2,4,6,8,11,13,15,18(30),19(27),20,22,24,28-tetradecaene?

The canonical SMILES for 15-(4,6-diphenylpyrimidin-2-yl)-24,24-dimethyl-1,15-diazaoctacyclo[17.11.1.02,18.04,16.05,14.06,11.023,31.025,30]hentriaconta-2,4(16),5(14),6,8,10,12,17,19(31),20,22,25,27,29-tetradecaene;26-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,10-dimethyl-17,26-diazaoctacyclo[15.13.1.02,7.09,31.011,16.018,30.019,27.020,25]hentriaconta-1(31),2,4,6,8,11,13,15,18(30),19(27),20,22,24,28-tetradecaene;26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10-dimethyl-17,26-diazaoctacyclo[15.13.1.02,7.09,31.011,16.018,30.019,27.020,25]hentriaconta-1(31),2,4,6,8,11,13,15,18(30),19(27),20,22,24,28-tetradecaene is CC1(C)c2ccccc2-n2c3c1cc1ccccc1c3c1ccc3c(c4ccccc4n3-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)c12.CC1(C)c2ccccc2-n2c3c1cc1ccccc1c3c1ccc3c(c4ccccc4n3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c12.CC1(C)c2ccccc2-n2c3cc4c5c6ccccc6ccc5n(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4cc3c3cccc1c32.

What is the InChIKey of 15-(4,6-diphenylpyrimidin-2-yl)-24,24-dimethyl-1,15-diazaoctacyclo[17.11.1.02,18.04,16.05,14.06,11.023,31.025,30]hentriaconta-2,4(16),5(14),6,8,10,12,17,19(31),20,22,25,27,29-tetradecaene;26-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,10-dimethyl-17,26-diazaoctacyclo[15.13.1.02,7.09,31.011,16.018,30.019,27.020,25]hentriaconta-1(31),2,4,6,8,11,13,15,18(30),19(27),20,22,24,28-tetradecaene;26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10-dimethyl-17,26-diazaoctacyclo[15.13.1.02,7.09,31.011,16.018,30.019,27.020,25]hentriaconta-1(31),2,4,6,8,11,13,15,18(30),19(27),20,22,24,28-tetradecaene?

The InChIKey is JMCBJGXSCMWYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N4.C47H32N4.C46H31N5/c1-53(2)41-22-12-14-24-46(41)57-50-40(48-38-20-10-9-19-36(38)31-42(53)51(48)57)29-30-47-49(50)39-21-11-13-23-45(39)56(47)37-27-25-35(26-28-37)52-54-43(33-15-5-3-6-16-33)32-44(55-52)34-17-7-4-8-18-34;1-47(2)36-21-11-12-23-40(36)50-42-27-35-43(26-34(42)33-20-13-22-37(47)45(33)50)51(41-25-24-29-14-9-10-19-32(29)44(35)41)46-48-38(30-15-5-3-6-16-30)28-39(49-46)31-17-7-4-8-18-31;1-46(2)34-22-12-14-24-37(34)51-41-33(39-31-20-10-9-19-30(31)27-35(46)42(39)51)25-26-38-40(41)32-21-11-13-23-36(32)50(38)45-48-43(28-15-5-3-6-16-28)47-44(49-45)29-17-7-4-8-18-29/h3-32H,1-2H3;3-28H,1-2H3;3-27H,1-2H3.

What are the key properties of 15-(4,6-diphenylpyrimidin-2-yl)-24,24-dimethyl-1,15-diazaoctacyclo[17.11.1.02,18.04,16.05,14.06,11.023,31.025,30]hentriaconta-2,4(16),5(14),6,8,10,12,17,19(31),20,22,25,27,29-tetradecaene;26-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,10-dimethyl-17,26-diazaoctacyclo[15.13.1.02,7.09,31.011,16.018,30.019,27.020,25]hentriaconta-1(31),2,4,6,8,11,13,15,18(30),19(27),20,22,24,28-tetradecaene;26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10-dimethyl-17,26-diazaoctacyclo[15.13.1.02,7.09,31.011,16.018,30.019,27.020,25]hentriaconta-1(31),2,4,6,8,11,13,15,18(30),19(27),20,22,24,28-tetradecaene?

15-(4,6-diphenylpyrimidin-2-yl)-24,24-dimethyl-1,15-diazaoctacyclo[17.11.1.02,18.04,16.05,14.06,11.023,31.025,30]hentriaconta-2,4(16),5(14),6,8,10,12,17,19(31),20,22,25,27,29-tetradecaene;26-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,10-dimethyl-17,26-diazaoctacyclo[15.13.1.02,7.09,31.011,16.018,30.019,27.020,25]hentriaconta-1(31),2,4,6,8,11,13,15,18(30),19(27),20,22,24,28-tetradecaene;26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10-dimethyl-17,26-diazaoctacyclo[15.13.1.02,7.09,31.011,16.018,30.019,27.020,25]hentriaconta-1(31),2,4,6,8,11,13,15,18(30),19(27),20,22,24,28-tetradecaene has a molecular weight of 2035.49 g/mol, XLogP of 36.45, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 15-(4,6-diphenylpyrimidin-2-yl)-24,24-dimethyl-1,15-diazaoctacyclo[17.11.1.02,18.04,16.05,14.06,11.023,31.025,30]hentriaconta-2,4(16),5(14),6,8,10,12,17,19(31),20,22,25,27,29-tetradecaene;26-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,10-dimethyl-17,26-diazaoctacyclo[15.13.1.02,7.09,31.011,16.018,30.019,27.020,25]hentriaconta-1(31),2,4,6,8,11,13,15,18(30),19(27),20,22,24,28-tetradecaene;26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,10-dimethyl-17,26-diazaoctacyclo[15.13.1.02,7.09,31.011,16.018,30.019,27.020,25]hentriaconta-1(31),2,4,6,8,11,13,15,18(30),19(27),20,22,24,28-tetradecaene is sourced from PubChem (CID 165009508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).