19,19-dimethyl-3-pyridin-2-yl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene

C126H94N18 — CID 158209439

About 19,19-dimethyl-3-pyridin-2-yl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene

19,19-dimethyl-3-pyridin-2-yl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene (PubChem CID 158209439) has the molecular formula C126H94N18 and a molecular weight of 1860.26 g/mol. Its IUPAC name is 19,19-dimethyl-3-pyridin-2-yl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene.

Molecular Properties

• Compound Name: 19,19-dimethyl-3-pyridin-2-yl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene
• PubChem CID: 158209439
• Molecular Formula: C126H94N18
• Molecular Weight: 1860.26 g/mol
• Exact Mass: 1858.79
• IUPAC Name: 19,19-dimethyl-3-pyridin-2-yl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene
• SMILES: CC1(C)c2ccccc2-n2cc3c4ccccc4n(-c4ccccn4)c3c21.CC1(C)c2ccccc2-n2cc3c4ccccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c21.CC1(C)c2ccccc2-n2cc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21.CC1(C)c2ccccc2-n2cc3c4ccccc4n(-c4nc(-c5ccccn5)cc(-c5ccccn5)n4)c3c21
• InChI: InChI=1S/C35H26N4.C34H25N5.C33H24N6.C24H19N3/c1-35(2)27-18-10-12-20-31(27)38-22-26-25-17-9-11-19-30(25)39(32(26)33(35)38)34-36-28(23-13-5-3-6-14-23)21-29(37-34)24-15-7-4-8-16-24;1-34(2)26-18-10-12-20-28(26)38-21-25-24-17-9-11-19-27(24)39(29(25)30(34)38)33-36-31(22-13-5-3-6-14-22)35-32(37-33)23-15-7-4-8-16-23;1-33(2)23-12-4-6-16-29(23)38-20-22-21-11-3-5-15-28(21)39(30(22)31(33)38)32-36-26(24-13-7-9-17-34-24)19-27(37-32)25-14-8-10-18-35-25;1-24(2)18-10-4-6-12-20(18)26-15-17-16-9-3-5-11-19(16)27(22(17)23(24)26)21-13-7-8-14-25-21/h3-22H,1-2H3;3-21H,1-2H3;3-20H,1-2H3;3-15H,1-2H3
• InChIKey: GBWURRINOKEDHC-UHFFFAOYSA-N
• XLogP: 28.81
• TPSA: 168.34 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1860.26
LogP ≤ 5	28.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 19,19-dimethyl-3-pyridin-2-yl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene?

The IUPAC name of 19,19-dimethyl-3-pyridin-2-yl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene (CID 158209439) is 19,19-dimethyl-3-pyridin-2-yl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene.

What is the SMILES notation for 19,19-dimethyl-3-pyridin-2-yl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene?

The canonical SMILES for 19,19-dimethyl-3-pyridin-2-yl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene is CC1(C)c2ccccc2-n2cc3c4ccccc4n(-c4ccccn4)c3c21.CC1(C)c2ccccc2-n2cc3c4ccccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c21.CC1(C)c2ccccc2-n2cc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21.CC1(C)c2ccccc2-n2cc3c4ccccc4n(-c4nc(-c5ccccn5)cc(-c5ccccn5)n4)c3c21.

What is the InChIKey of 19,19-dimethyl-3-pyridin-2-yl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene?

The InChIKey is GBWURRINOKEDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N4.C34H25N5.C33H24N6.C24H19N3/c1-35(2)27-18-10-12-20-31(27)38-22-26-25-17-9-11-19-30(25)39(32(26)33(35)38)34-36-28(23-13-5-3-6-14-23)21-29(37-34)24-15-7-4-8-16-24;1-34(2)26-18-10-12-20-28(26)38-21-25-24-17-9-11-19-27(24)39(29(25)30(34)38)33-36-31(22-13-5-3-6-14-22)35-32(37-33)23-15-7-4-8-16-23;1-33(2)23-12-4-6-16-29(23)38-20-22-21-11-3-5-15-28(21)39(30(22)31(33)38)32-36-26(24-13-7-9-17-34-24)19-27(37-32)25-14-8-10-18-35-25;1-24(2)18-10-4-6-12-20(18)26-15-17-16-9-3-5-11-19(16)27(22(17)23(24)26)21-13-7-8-14-25-21/h3-22H,1-2H3;3-21H,1-2H3;3-20H,1-2H3;3-15H,1-2H3.

What are the key properties of 19,19-dimethyl-3-pyridin-2-yl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene?

19,19-dimethyl-3-pyridin-2-yl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene has a molecular weight of 1860.26 g/mol, XLogP of 28.81, 10 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 19,19-dimethyl-3-pyridin-2-yl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-diphenylpyrimidin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene;3-(4,6-dipyridin-2-ylpyrimidin-2-yl)-19,19-dimethyl-3,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1,4,6,8,10,13,15,17-octaene is sourced from PubChem (CID 158209439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).