2-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.027,32]pentatriaconta-1(24),3,5,7,9,11(23),12(20),14,16,18,21,25,27,29,31,34-hexadecaene;2-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12(20),14,16,18,21,25,28,30,32,34-hexadecaene;2-azanonacyclo[22.11.0.02,10.03,8.011,23.013,21.015,20.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12,15,17,19,21,25,28,30,32,34-hexadecaene;23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,28,30,32,34-hexadecaene;ethane

C176H204N4 — CID 160913317

About 2-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.027,32]pentatriaconta-1(24),3,5,7,9,11(23),12(20),14,16,18,21,25,27,29,31,34-hexadecaene;2-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12(20),14,16,18,21,25,28,30,32,34-hexadecaene;2-azanonacyclo[22.11.0.02,10.03,8.011,23.013,21.015,20.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12,15,17,19,21,25,28,30,32,34-hexadecaene;23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,28,30,32,34-hexadecaene;ethane

2-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.027,32]pentatriaconta-1(24),3,5,7,9,11(23),12(20),14,16,18,21,25,27,29,31,34-hexadecaene;2-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12(20),14,16,18,21,25,28,30,32,34-hexadecaene;2-azanonacyclo[22.11.0.02,10.03,8.011,23.013,21.015,20.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12,15,17,19,21,25,28,30,32,34-hexadecaene;23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,28,30,32,34-hexadecaene;ethane (PubChem CID 160913317) has the molecular formula C176H204N4 and a molecular weight of 2375.60 g/mol. Its IUPAC name is 2-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.027,32]pentatriaconta-1(24),3,5,7,9,11(23),12(20),14,16,18,21,25,27,29,31,34-hexadecaene;2-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12(20),14,16,18,21,25,28,30,32,34-hexadecaene;2-azanonacyclo[22.11.0.02,10.03,8.011,23.013,21.015,20.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12,15,17,19,21,25,28,30,32,34-hexadecaene;23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,28,30,32,34-hexadecaene;ethane.

Molecular Properties

• Compound Name: 2-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.027,32]pentatriaconta-1(24),3,5,7,9,11(23),12(20),14,16,18,21,25,27,29,31,34-hexadecaene;2-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12(20),14,16,18,21,25,28,30,32,34-hexadecaene;2-azanonacyclo[22.11.0.02,10.03,8.011,23.013,21.015,20.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12,15,17,19,21,25,28,30,32,34-hexadecaene;23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,28,30,32,34-hexadecaene;ethane
• PubChem CID: 160913317
• Molecular Formula: C176H204N4
• Molecular Weight: 2375.60 g/mol
• Exact Mass: 2373.61
• IUPAC Name: 2-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.027,32]pentatriaconta-1(24),3,5,7,9,11(23),12(20),14,16,18,21,25,27,29,31,34-hexadecaene;2-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12(20),14,16,18,21,25,28,30,32,34-hexadecaene;2-azanonacyclo[22.11.0.02,10.03,8.011,23.013,21.015,20.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12,15,17,19,21,25,28,30,32,34-hexadecaene;23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,28,30,32,34-hexadecaene;ethane
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)Cc1cc3c(cc1-2)c1c2c(ccc1c1cc4ccccc4n31)Cc1ccccc1-2.c1ccc2c(c1)Cc1cc3c(cc1-2)c1cc2c(cc1n1c4ccccc4cc31)-c1ccccc1C2.c1ccc2c(c1)Cc1cc3c(cc1-2)c1ccc2c(c1c1cc4ccccc4n31)Cc1ccccc1-2.c1ccc2c(c1)Cc1cc3c4ccc5c(c4c4cc6ccccc6n4c3cc1-2)Cc1ccccc1-5
• InChI: InChI=1S/4C34H21N.20C2H6/c1-5-11-25-20(7-1)15-23-17-29-27-14-13-26-24-10-4-2-8-21(24)16-30(26)34(27)33-18-22-9-3-6-12-31(22)35(33)32(29)19-28(23)25;1-5-11-25-20(7-1)15-23-18-32-29(19-28(23)25)27-14-13-26-24-10-4-2-8-21(24)16-30(26)34(27)33-17-22-9-3-6-12-31(22)35(32)33;1-4-10-25-20(7-1)13-23-15-30-29(18-27(23)25)31-16-24-14-21-8-2-5-11-26(21)28(24)19-34(31)35-32-12-6-3-9-22(32)17-33(30)35;1-4-10-25-20(7-1)16-24-18-32-29(19-28(24)25)34-27(31-17-22-9-3-6-12-30(22)35(31)32)14-13-23-15-21-8-2-5-11-26(21)33(23)34;20*1-2/h2*1-14,17-19H,15-16H2;1-12,15-19H,13-14H2;1-14,17-19H,15-16H2;20*1-2H3
• InChIKey: SRBRGUIMWPNNEQ-UHFFFAOYSA-N
• XLogP: 54.69
• TPSA: 17.64 Ų
• H-Bond Acceptors: 4
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2375.60
LogP ≤ 5	54.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.027,32]pentatriaconta-1(24),3,5,7,9,11(23),12(20),14,16,18,21,25,27,29,31,34-hexadecaene;2-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12(20),14,16,18,21,25,28,30,32,34-hexadecaene;2-azanonacyclo[22.11.0.02,10.03,8.011,23.013,21.015,20.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12,15,17,19,21,25,28,30,32,34-hexadecaene;23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,28,30,32,34-hexadecaene;ethane?

The IUPAC name of 2-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.027,32]pentatriaconta-1(24),3,5,7,9,11(23),12(20),14,16,18,21,25,27,29,31,34-hexadecaene;2-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12(20),14,16,18,21,25,28,30,32,34-hexadecaene;2-azanonacyclo[22.11.0.02,10.03,8.011,23.013,21.015,20.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12,15,17,19,21,25,28,30,32,34-hexadecaene;23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,28,30,32,34-hexadecaene;ethane (CID 160913317) is 2-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.027,32]pentatriaconta-1(24),3,5,7,9,11(23),12(20),14,16,18,21,25,27,29,31,34-hexadecaene;2-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12(20),14,16,18,21,25,28,30,32,34-hexadecaene;2-azanonacyclo[22.11.0.02,10.03,8.011,23.013,21.015,20.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12,15,17,19,21,25,28,30,32,34-hexadecaene;23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,28,30,32,34-hexadecaene;ethane.

What is the SMILES notation for 2-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.027,32]pentatriaconta-1(24),3,5,7,9,11(23),12(20),14,16,18,21,25,27,29,31,34-hexadecaene;2-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12(20),14,16,18,21,25,28,30,32,34-hexadecaene;2-azanonacyclo[22.11.0.02,10.03,8.011,23.013,21.015,20.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12,15,17,19,21,25,28,30,32,34-hexadecaene;23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,28,30,32,34-hexadecaene;ethane?

The canonical SMILES for 2-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.027,32]pentatriaconta-1(24),3,5,7,9,11(23),12(20),14,16,18,21,25,27,29,31,34-hexadecaene;2-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12(20),14,16,18,21,25,28,30,32,34-hexadecaene;2-azanonacyclo[22.11.0.02,10.03,8.011,23.013,21.015,20.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12,15,17,19,21,25,28,30,32,34-hexadecaene;23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,28,30,32,34-hexadecaene;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)Cc1cc3c(cc1-2)c1c2c(ccc1c1cc4ccccc4n31)Cc1ccccc1-2.c1ccc2c(c1)Cc1cc3c(cc1-2)c1cc2c(cc1n1c4ccccc4cc31)-c1ccccc1C2.c1ccc2c(c1)Cc1cc3c(cc1-2)c1ccc2c(c1c1cc4ccccc4n31)Cc1ccccc1-2.c1ccc2c(c1)Cc1cc3c4ccc5c(c4c4cc6ccccc6n4c3cc1-2)Cc1ccccc1-5.

What is the InChIKey of 2-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.027,32]pentatriaconta-1(24),3,5,7,9,11(23),12(20),14,16,18,21,25,27,29,31,34-hexadecaene;2-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12(20),14,16,18,21,25,28,30,32,34-hexadecaene;2-azanonacyclo[22.11.0.02,10.03,8.011,23.013,21.015,20.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12,15,17,19,21,25,28,30,32,34-hexadecaene;23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,28,30,32,34-hexadecaene;ethane?

The InChIKey is SRBRGUIMWPNNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C34H21N.20C2H6/c1-5-11-25-20(7-1)15-23-17-29-27-14-13-26-24-10-4-2-8-21(24)16-30(26)34(27)33-18-22-9-3-6-12-31(22)35(33)32(29)19-28(23)25;1-5-11-25-20(7-1)15-23-18-32-29(19-28(23)25)27-14-13-26-24-10-4-2-8-21(24)16-30(26)34(27)33-17-22-9-3-6-12-31(22)35(32)33;1-4-10-25-20(7-1)13-23-15-30-29(18-27(23)25)31-16-24-14-21-8-2-5-11-26(21)28(24)19-34(31)35-32-12-6-3-9-22(32)17-33(30)35;1-4-10-25-20(7-1)16-24-18-32-29(19-28(24)25)34-27(31-17-22-9-3-6-12-30(22)35(31)32)14-13-23-15-21-8-2-5-11-26(21)33(23)34;20*1-2/h2*1-14,17-19H,15-16H2;1-12,15-19H,13-14H2;1-14,17-19H,15-16H2;20*1-2H3.

What are the key properties of 2-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.027,32]pentatriaconta-1(24),3,5,7,9,11(23),12(20),14,16,18,21,25,27,29,31,34-hexadecaene;2-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12(20),14,16,18,21,25,28,30,32,34-hexadecaene;2-azanonacyclo[22.11.0.02,10.03,8.011,23.013,21.015,20.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12,15,17,19,21,25,28,30,32,34-hexadecaene;23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,28,30,32,34-hexadecaene;ethane?

2-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.027,32]pentatriaconta-1(24),3,5,7,9,11(23),12(20),14,16,18,21,25,27,29,31,34-hexadecaene;2-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12(20),14,16,18,21,25,28,30,32,34-hexadecaene;2-azanonacyclo[22.11.0.02,10.03,8.011,23.013,21.015,20.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12,15,17,19,21,25,28,30,32,34-hexadecaene;23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,28,30,32,34-hexadecaene;ethane has a molecular weight of 2375.60 g/mol, XLogP of 54.69, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.027,32]pentatriaconta-1(24),3,5,7,9,11(23),12(20),14,16,18,21,25,27,29,31,34-hexadecaene;2-azanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12(20),14,16,18,21,25,28,30,32,34-hexadecaene;2-azanonacyclo[22.11.0.02,10.03,8.011,23.013,21.015,20.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12,15,17,19,21,25,28,30,32,34-hexadecaene;23-azanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,28,30,32,34-hexadecaene;ethane is sourced from PubChem (CID 160913317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).