22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,25.026,31]hentriaconta-1,3,5,7,10,12,14,16,19,22,24,26,28,30-tetradecaene;22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.013,18.021,25.026,31]hentriaconta-1,3,5,7,10,13,15,17,19,22,24,26,28,30-tetradecaene;bis(22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26,28,30-tetradecaene);29,30-dimethyl-28,31-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,26.027,31]hentriaconta-1,3,5,7,10,12,14,16,19,21,23,25,27,29-tetradecaene;ethane

C185H200N10 — CID 163524264

About 22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,25.026,31]hentriaconta-1,3,5,7,10,12,14,16,19,22,24,26,28,30-tetradecaene;22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.013,18.021,25.026,31]hentriaconta-1,3,5,7,10,13,15,17,19,22,24,26,28,30-tetradecaene;bis(22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26,28,30-tetradecaene);29,30-dimethyl-28,31-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,26.027,31]hentriaconta-1,3,5,7,10,12,14,16,19,21,23,25,27,29-tetradecaene;ethane

22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,25.026,31]hentriaconta-1,3,5,7,10,12,14,16,19,22,24,26,28,30-tetradecaene;22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.013,18.021,25.026,31]hentriaconta-1,3,5,7,10,13,15,17,19,22,24,26,28,30-tetradecaene;bis(22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26,28,30-tetradecaene);29,30-dimethyl-28,31-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,26.027,31]hentriaconta-1,3,5,7,10,12,14,16,19,21,23,25,27,29-tetradecaene;ethane (PubChem CID 163524264) has the molecular formula C185H200N10 and a molecular weight of 2563.70 g/mol. Its IUPAC name is 22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,25.026,31]hentriaconta-1,3,5,7,10,12,14,16,19,22,24,26,28,30-tetradecaene;22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.013,18.021,25.026,31]hentriaconta-1,3,5,7,10,13,15,17,19,22,24,26,28,30-tetradecaene;bis(22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26,28,30-tetradecaene);29,30-dimethyl-28,31-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,26.027,31]hentriaconta-1,3,5,7,10,12,14,16,19,21,23,25,27,29-tetradecaene;ethane.

Molecular Properties

• Compound Name: 22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,25.026,31]hentriaconta-1,3,5,7,10,12,14,16,19,22,24,26,28,30-tetradecaene;22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.013,18.021,25.026,31]hentriaconta-1,3,5,7,10,13,15,17,19,22,24,26,28,30-tetradecaene;bis(22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26,28,30-tetradecaene);29,30-dimethyl-28,31-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,26.027,31]hentriaconta-1,3,5,7,10,12,14,16,19,21,23,25,27,29-tetradecaene;ethane
• PubChem CID: 163524264
• Molecular Formula: C185H200N10
• Molecular Weight: 2563.70 g/mol
• Exact Mass: 2561.60
• IUPAC Name: 22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,25.026,31]hentriaconta-1,3,5,7,10,12,14,16,19,22,24,26,28,30-tetradecaene;22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.013,18.021,25.026,31]hentriaconta-1,3,5,7,10,13,15,17,19,22,24,26,28,30-tetradecaene;bis(22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26,28,30-tetradecaene);29,30-dimethyl-28,31-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,26.027,31]hentriaconta-1,3,5,7,10,12,14,16,19,21,23,25,27,29-tetradecaene;ethane
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1nc2c3ccccc3c3c4c(c5c(c3n2c1C)-c1ccccc1C5)-c1ccccc1C4.Cc1nc2c3ccccc3c3c4c(c5c(c3n2c1C)-c1ccccc1C5)Cc1ccccc1-4.Cc1nc2c3ccccc3c3c4c(c5c(c3n2c1C)Cc1ccccc1-5)-c1ccccc1C4.Cc1nc2c3ccccc3c3c4c(c5c(c3n2c1C)Cc1ccccc1-5)-c1ccccc1C4.Cc1nc2c3ccccc3c3c4c(c5c(c3n2c1C)Cc1ccccc1-5)Cc1ccccc1-4
• InChI: InChI=1S/5C31H22N2.15C2H6/c1-17-18(2)33-30-26-16-20-10-3-5-11-21(20)27(26)25-15-19-9-4-6-12-22(19)28(25)29(30)23-13-7-8-14-24(23)31(33)32-17;1-17-18(2)33-30-28-22-12-6-4-10-20(22)16-25(28)27-21-11-5-3-9-19(21)15-26(27)29(30)23-13-7-8-14-24(23)31(33)32-17;2*1-17-18(2)33-30-26-16-20-10-4-6-12-22(20)28(26)27-21-11-5-3-9-19(21)15-25(27)29(30)23-13-7-8-14-24(23)31(33)32-17;1-17-18(2)33-30-28-22-12-6-4-10-20(22)16-26(28)25-15-19-9-3-5-11-21(19)27(25)29(30)23-13-7-8-14-24(23)31(33)32-17;15*1-2/h5*3-14H,15-16H2,1-2H3;15*1-2H3
• InChIKey: DNJPNNKDVYBGGE-UHFFFAOYSA-N
• XLogP: 52.39
• TPSA: 86.50 Ų
• H-Bond Acceptors: 10
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2563.70
LogP ≤ 5	52.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,25.026,31]hentriaconta-1,3,5,7,10,12,14,16,19,22,24,26,28,30-tetradecaene;22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.013,18.021,25.026,31]hentriaconta-1,3,5,7,10,13,15,17,19,22,24,26,28,30-tetradecaene;bis(22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26,28,30-tetradecaene);29,30-dimethyl-28,31-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,26.027,31]hentriaconta-1,3,5,7,10,12,14,16,19,21,23,25,27,29-tetradecaene;ethane?

The IUPAC name of 22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,25.026,31]hentriaconta-1,3,5,7,10,12,14,16,19,22,24,26,28,30-tetradecaene;22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.013,18.021,25.026,31]hentriaconta-1,3,5,7,10,13,15,17,19,22,24,26,28,30-tetradecaene;bis(22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26,28,30-tetradecaene);29,30-dimethyl-28,31-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,26.027,31]hentriaconta-1,3,5,7,10,12,14,16,19,21,23,25,27,29-tetradecaene;ethane (CID 163524264) is 22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,25.026,31]hentriaconta-1,3,5,7,10,12,14,16,19,22,24,26,28,30-tetradecaene;22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.013,18.021,25.026,31]hentriaconta-1,3,5,7,10,13,15,17,19,22,24,26,28,30-tetradecaene;bis(22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26,28,30-tetradecaene);29,30-dimethyl-28,31-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,26.027,31]hentriaconta-1,3,5,7,10,12,14,16,19,21,23,25,27,29-tetradecaene;ethane.

What is the SMILES notation for 22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,25.026,31]hentriaconta-1,3,5,7,10,12,14,16,19,22,24,26,28,30-tetradecaene;22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.013,18.021,25.026,31]hentriaconta-1,3,5,7,10,13,15,17,19,22,24,26,28,30-tetradecaene;bis(22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26,28,30-tetradecaene);29,30-dimethyl-28,31-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,26.027,31]hentriaconta-1,3,5,7,10,12,14,16,19,21,23,25,27,29-tetradecaene;ethane?

The canonical SMILES for 22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,25.026,31]hentriaconta-1,3,5,7,10,12,14,16,19,22,24,26,28,30-tetradecaene;22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.013,18.021,25.026,31]hentriaconta-1,3,5,7,10,13,15,17,19,22,24,26,28,30-tetradecaene;bis(22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26,28,30-tetradecaene);29,30-dimethyl-28,31-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,26.027,31]hentriaconta-1,3,5,7,10,12,14,16,19,21,23,25,27,29-tetradecaene;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1nc2c3ccccc3c3c4c(c5c(c3n2c1C)-c1ccccc1C5)-c1ccccc1C4.Cc1nc2c3ccccc3c3c4c(c5c(c3n2c1C)-c1ccccc1C5)Cc1ccccc1-4.Cc1nc2c3ccccc3c3c4c(c5c(c3n2c1C)Cc1ccccc1-5)-c1ccccc1C4.Cc1nc2c3ccccc3c3c4c(c5c(c3n2c1C)Cc1ccccc1-5)-c1ccccc1C4.Cc1nc2c3ccccc3c3c4c(c5c(c3n2c1C)Cc1ccccc1-5)Cc1ccccc1-4.

What is the InChIKey of 22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,25.026,31]hentriaconta-1,3,5,7,10,12,14,16,19,22,24,26,28,30-tetradecaene;22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.013,18.021,25.026,31]hentriaconta-1,3,5,7,10,13,15,17,19,22,24,26,28,30-tetradecaene;bis(22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26,28,30-tetradecaene);29,30-dimethyl-28,31-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,26.027,31]hentriaconta-1,3,5,7,10,12,14,16,19,21,23,25,27,29-tetradecaene;ethane?

The InChIKey is DNJPNNKDVYBGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/5C31H22N2.15C2H6/c1-17-18(2)33-30-26-16-20-10-3-5-11-21(20)27(26)25-15-19-9-4-6-12-22(19)28(25)29(30)23-13-7-8-14-24(23)31(33)32-17;1-17-18(2)33-30-28-22-12-6-4-10-20(22)16-25(28)27-21-11-5-3-9-19(21)15-26(27)29(30)23-13-7-8-14-24(23)31(33)32-17;2*1-17-18(2)33-30-26-16-20-10-4-6-12-22(20)28(26)27-21-11-5-3-9-19(21)15-25(27)29(30)23-13-7-8-14-24(23)31(33)32-17;1-17-18(2)33-30-28-22-12-6-4-10-20(22)16-26(28)25-15-19-9-3-5-11-21(19)27(25)29(30)23-13-7-8-14-24(23)31(33)32-17;15*1-2/h5*3-14H,15-16H2,1-2H3;15*1-2H3.

What are the key properties of 22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,25.026,31]hentriaconta-1,3,5,7,10,12,14,16,19,22,24,26,28,30-tetradecaene;22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.013,18.021,25.026,31]hentriaconta-1,3,5,7,10,13,15,17,19,22,24,26,28,30-tetradecaene;bis(22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26,28,30-tetradecaene);29,30-dimethyl-28,31-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,26.027,31]hentriaconta-1,3,5,7,10,12,14,16,19,21,23,25,27,29-tetradecaene;ethane?

22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,25.026,31]hentriaconta-1,3,5,7,10,12,14,16,19,22,24,26,28,30-tetradecaene;22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.013,18.021,25.026,31]hentriaconta-1,3,5,7,10,13,15,17,19,22,24,26,28,30-tetradecaene;bis(22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26,28,30-tetradecaene);29,30-dimethyl-28,31-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,26.027,31]hentriaconta-1,3,5,7,10,12,14,16,19,21,23,25,27,29-tetradecaene;ethane has a molecular weight of 2563.70 g/mol, XLogP of 52.39, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,25.026,31]hentriaconta-1,3,5,7,10,12,14,16,19,22,24,26,28,30-tetradecaene;22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.03,8.011,19.013,18.021,25.026,31]hentriaconta-1,3,5,7,10,13,15,17,19,22,24,26,28,30-tetradecaene;bis(22,23-dimethyl-21,24-diazaoctacyclo[18.11.0.02,10.04,9.011,19.012,17.021,25.026,31]hentriaconta-1,4,6,8,10,12,14,16,19,22,24,26,28,30-tetradecaene);29,30-dimethyl-28,31-diazaoctacyclo[18.11.0.02,10.03,8.011,19.012,17.021,26.027,31]hentriaconta-1,3,5,7,10,12,14,16,19,21,23,25,27,29-tetradecaene;ethane is sourced from PubChem (CID 163524264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).