5-methyl-8-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;8-methyl-5-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-methyl-2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-methyl-2,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene;1-methyl-13H-indeno[2,1-a]anthracene;5-methylpentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene

C127H91N5 — CID 163810671

About 5-methyl-8-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;8-methyl-5-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-methyl-2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-methyl-2,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene;1-methyl-13H-indeno[2,1-a]anthracene;5-methylpentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene

5-methyl-8-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;8-methyl-5-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-methyl-2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-methyl-2,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene;1-methyl-13H-indeno[2,1-a]anthracene;5-methylpentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene (PubChem CID 163810671) has the molecular formula C127H91N5 and a molecular weight of 1687.16 g/mol. Its IUPAC name is 5-methyl-8-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;8-methyl-5-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-methyl-2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-methyl-2,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene;1-methyl-13H-indeno[2,1-a]anthracene;5-methylpentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 5-methyl-8-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;8-methyl-5-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-methyl-2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-methyl-2,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene;1-methyl-13H-indeno[2,1-a]anthracene;5-methylpentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
• PubChem CID: 163810671
• Molecular Formula: C127H91N5
• Molecular Weight: 1687.16 g/mol
• Exact Mass: 1685.73
• IUPAC Name: 5-methyl-8-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;8-methyl-5-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-methyl-2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-methyl-2,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene;1-methyl-13H-indeno[2,1-a]anthracene;5-methylpentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
• SMILES: Cc1c2c(nc3c1ccc1ccccc13)-c1ccccc1C2.Cc1c2c(nc3c1ccc1cccnc13)-c1ccccc1C2.Cc1cccc2c1Cc1c-2ccc2cc3ccccc3cc12.Cc1cccc2c1Cc1c-2ccc2ccc3ccccc3c12.Cc1ccnc2c1Cc1c-2ccc2ccc3ccccc3c12.Cc1ccnc2c1Cc1cc3ccc4ccccc4c3cc1-2
• InChI: InChI=1S/2C22H16.3C21H15N.C20H14N2/c1-14-5-4-8-18-19-10-9-17-11-15-6-2-3-7-16(15)12-21(17)22(19)13-20(14)18;1-14-5-4-8-18-19-12-11-16-10-9-15-6-2-3-7-17(15)22(16)21(19)13-20(14)18;1-13-16-11-10-14-6-2-4-8-17(14)20(16)22-21-18-9-5-3-7-15(18)12-19(13)21;1-13-8-9-22-21-18(13)11-16-10-15-7-6-14-4-2-3-5-17(14)19(15)12-20(16)21;1-13-10-11-22-21-17-9-8-15-7-6-14-4-2-3-5-16(14)20(15)19(17)12-18(13)21;1-12-15-9-8-13-6-4-10-21-18(13)20(15)22-19-16-7-3-2-5-14(16)11-17(12)19/h2*2-12H,13H2,1H3;2-11H,12H2,1H3;2-10,12H,11H2,1H3;2-11H,12H2,1H3;2-10H,11H2,1H3
• InChIKey: NMYCSDVRIRAZNX-UHFFFAOYSA-N
• XLogP: 32.21
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1687.16
LogP ≤ 5	32.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-methyl-8-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;8-methyl-5-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-methyl-2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-methyl-2,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene;1-methyl-13H-indeno[2,1-a]anthracene;5-methylpentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?

The IUPAC name of 5-methyl-8-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;8-methyl-5-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-methyl-2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-methyl-2,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene;1-methyl-13H-indeno[2,1-a]anthracene;5-methylpentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene (CID 163810671) is 5-methyl-8-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;8-methyl-5-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-methyl-2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-methyl-2,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene;1-methyl-13H-indeno[2,1-a]anthracene;5-methylpentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene.

What is the SMILES notation for 5-methyl-8-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;8-methyl-5-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-methyl-2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-methyl-2,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene;1-methyl-13H-indeno[2,1-a]anthracene;5-methylpentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?

The canonical SMILES for 5-methyl-8-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;8-methyl-5-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-methyl-2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-methyl-2,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene;1-methyl-13H-indeno[2,1-a]anthracene;5-methylpentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene is Cc1c2c(nc3c1ccc1ccccc13)-c1ccccc1C2.Cc1c2c(nc3c1ccc1cccnc13)-c1ccccc1C2.Cc1cccc2c1Cc1c-2ccc2cc3ccccc3cc12.Cc1cccc2c1Cc1c-2ccc2ccc3ccccc3c12.Cc1ccnc2c1Cc1c-2ccc2ccc3ccccc3c12.Cc1ccnc2c1Cc1cc3ccc4ccccc4c3cc1-2.

What is the InChIKey of 5-methyl-8-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;8-methyl-5-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-methyl-2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-methyl-2,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene;1-methyl-13H-indeno[2,1-a]anthracene;5-methylpentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?

The InChIKey is NMYCSDVRIRAZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H16.3C21H15N.C20H14N2/c1-14-5-4-8-18-19-10-9-17-11-15-6-2-3-7-16(15)12-21(17)22(19)13-20(14)18;1-14-5-4-8-18-19-12-11-16-10-9-15-6-2-3-7-17(15)22(16)21(19)13-20(14)18;1-13-16-11-10-14-6-2-4-8-17(14)20(16)22-21-18-9-5-3-7-15(18)12-19(13)21;1-13-8-9-22-21-18(13)11-16-10-15-7-6-14-4-2-3-5-17(14)19(15)12-20(16)21;1-13-10-11-22-21-17-9-8-15-7-6-14-4-2-3-5-16(14)20(15)19(17)12-18(13)21;1-12-15-9-8-13-6-4-10-21-18(13)20(15)22-19-16-7-3-2-5-14(16)11-17(12)19/h2*2-12H,13H2,1H3;2-11H,12H2,1H3;2-10,12H,11H2,1H3;2-11H,12H2,1H3;2-10H,11H2,1H3.

What are the key properties of 5-methyl-8-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;8-methyl-5-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-methyl-2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-methyl-2,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene;1-methyl-13H-indeno[2,1-a]anthracene;5-methylpentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?

5-methyl-8-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;8-methyl-5-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-methyl-2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-methyl-2,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene;1-methyl-13H-indeno[2,1-a]anthracene;5-methylpentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene has a molecular weight of 1687.16 g/mol, XLogP of 32.21, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-8-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;8-methyl-5-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-methyl-2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;12-methyl-2,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaene;1-methyl-13H-indeno[2,1-a]anthracene;5-methylpentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene is sourced from PubChem (CID 163810671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).