10,17-dimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,17-dimethyl-3,9,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene;10,17-dimethyl-4,9,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene;10,17-dimethyl-9,16,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12,17-tetramethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;9,17,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene

C110H92N16 — CID 159943948

About 10,17-dimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,17-dimethyl-3,9,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene;10,17-dimethyl-4,9,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene;10,17-dimethyl-9,16,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12,17-tetramethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;9,17,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene

10,17-dimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,17-dimethyl-3,9,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene;10,17-dimethyl-4,9,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene;10,17-dimethyl-9,16,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12,17-tetramethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;9,17,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene (PubChem CID 159943948) has the molecular formula C110H92N16 and a molecular weight of 1638.06 g/mol. Its IUPAC name is 10,17-dimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,17-dimethyl-3,9,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene;10,17-dimethyl-4,9,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene;10,17-dimethyl-9,16,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12,17-tetramethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;9,17,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene.

Molecular Properties

• Compound Name: 10,17-dimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,17-dimethyl-3,9,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene;10,17-dimethyl-4,9,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene;10,17-dimethyl-9,16,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12,17-tetramethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;9,17,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene
• PubChem CID: 159943948
• Molecular Formula: C110H92N16
• Molecular Weight: 1638.06 g/mol
• Exact Mass: 1636.77
• IUPAC Name: 10,17-dimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,17-dimethyl-3,9,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene;10,17-dimethyl-4,9,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene;10,17-dimethyl-9,16,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12,17-tetramethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;9,17,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene
• SMILES: Cc1nc2c3ccccc3c3c(C)ccc4c3n2c1C(C)(C)C4.Cc1nc2c3ccccc3c3c(C)ccc4c3n2c1CC4.Cc1nc2c3ccccc3c3c(C)ncc4c3n2c1CC4.Cc1nc2c3cccnc3c3c(C)ccc4c3n2c1CC4.Cc1nc2c3ccncc3c3c(C)ccc4c3n2c1CC4.c1ccc2c(c1)c1nccc3c1n1c(cnc21)CC3
• InChI: InChI=1S/C21H20N2.C19H16N2.3C18H15N3.C16H11N3/c1-12-9-10-14-11-21(3,4)19-13(2)22-20-16-8-6-5-7-15(16)17(12)18(14)23(19)20;1-11-7-8-13-9-10-16-12(2)20-19-15-6-4-3-5-14(15)17(11)18(13)21(16)19;1-10-3-4-12-5-6-15-11(2)20-18-13-7-8-19-9-14(13)16(10)17(12)21(15)18;1-10-5-6-12-7-8-14-11(2)20-18-13-4-3-9-19-16(13)15(10)17(12)21(14)18;1-10-15-8-7-12-9-19-11(2)16-13-5-3-4-6-14(13)18(20-10)21(15)17(12)16;1-2-4-13-12(3-1)14-15-10(7-8-17-14)5-6-11-9-18-16(13)19(11)15/h5-10H,11H2,1-4H3;3-8H,9-10H2,1-2H3;3-4,7-9H,5-6H2,1-2H3;2*3-6,9H,7-8H2,1-2H3;1-4,7-9H,5-6H2
• InChIKey: OBGBIVNCSOMCKR-UHFFFAOYSA-N
• XLogP: 23.84
• TPSA: 155.36 Ų
• H-Bond Acceptors: 16
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1638.06
LogP ≤ 5	23.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10,17-dimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,17-dimethyl-3,9,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene;10,17-dimethyl-4,9,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene;10,17-dimethyl-9,16,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12,17-tetramethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;9,17,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene?

The IUPAC name of 10,17-dimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,17-dimethyl-3,9,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene;10,17-dimethyl-4,9,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene;10,17-dimethyl-9,16,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12,17-tetramethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;9,17,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene (CID 159943948) is 10,17-dimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,17-dimethyl-3,9,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene;10,17-dimethyl-4,9,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene;10,17-dimethyl-9,16,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12,17-tetramethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;9,17,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene.

What is the SMILES notation for 10,17-dimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,17-dimethyl-3,9,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene;10,17-dimethyl-4,9,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene;10,17-dimethyl-9,16,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12,17-tetramethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;9,17,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene?

The canonical SMILES for 10,17-dimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,17-dimethyl-3,9,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene;10,17-dimethyl-4,9,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene;10,17-dimethyl-9,16,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12,17-tetramethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;9,17,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene is Cc1nc2c3ccccc3c3c(C)ccc4c3n2c1C(C)(C)C4.Cc1nc2c3ccccc3c3c(C)ccc4c3n2c1CC4.Cc1nc2c3ccccc3c3c(C)ncc4c3n2c1CC4.Cc1nc2c3cccnc3c3c(C)ccc4c3n2c1CC4.Cc1nc2c3ccncc3c3c(C)ccc4c3n2c1CC4.c1ccc2c(c1)c1nccc3c1n1c(cnc21)CC3.

What is the InChIKey of 10,17-dimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,17-dimethyl-3,9,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene;10,17-dimethyl-4,9,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene;10,17-dimethyl-9,16,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12,17-tetramethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;9,17,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene?

The InChIKey is OBGBIVNCSOMCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2.C19H16N2.3C18H15N3.C16H11N3/c1-12-9-10-14-11-21(3,4)19-13(2)22-20-16-8-6-5-7-15(16)17(12)18(14)23(19)20;1-11-7-8-13-9-10-16-12(2)20-19-15-6-4-3-5-14(15)17(11)18(13)21(16)19;1-10-3-4-12-5-6-15-11(2)20-18-13-7-8-19-9-14(13)16(10)17(12)21(15)18;1-10-5-6-12-7-8-14-11(2)20-18-13-4-3-9-19-16(13)15(10)17(12)21(14)18;1-10-15-8-7-12-9-19-11(2)16-13-5-3-4-6-14(13)18(20-10)21(15)17(12)16;1-2-4-13-12(3-1)14-15-10(7-8-17-14)5-6-11-9-18-16(13)19(11)15/h5-10H,11H2,1-4H3;3-8H,9-10H2,1-2H3;3-4,7-9H,5-6H2,1-2H3;2*3-6,9H,7-8H2,1-2H3;1-4,7-9H,5-6H2.

What are the key properties of 10,17-dimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,17-dimethyl-3,9,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene;10,17-dimethyl-4,9,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene;10,17-dimethyl-9,16,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12,17-tetramethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;9,17,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene?

10,17-dimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,17-dimethyl-3,9,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene;10,17-dimethyl-4,9,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene;10,17-dimethyl-9,16,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12,17-tetramethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;9,17,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene has a molecular weight of 1638.06 g/mol, XLogP of 23.84, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 10,17-dimethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;10,17-dimethyl-3,9,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene;10,17-dimethyl-4,9,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene;10,17-dimethyl-9,16,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(18),2,4,6,8,10,14,16-octaene;10,12,12,17-tetramethyl-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene;9,17,19-triazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2,4,6,8,10,14(18),15-octaene is sourced from PubChem (CID 159943948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).