21,24,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,25,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,26,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,27,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene

C124H72N16 — CID 159333909

About 21,24,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,25,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,26,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,27,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene

21,24,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,25,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,26,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,27,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene (PubChem CID 159333909) has the molecular formula C124H72N16 and a molecular weight of 1786.05 g/mol. Its IUPAC name is 21,24,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,25,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,26,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,27,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene.

Molecular Properties

• Compound Name: 21,24,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,25,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,26,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,27,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene
• PubChem CID: 159333909
• Molecular Formula: C124H72N16
• Molecular Weight: 1786.05 g/mol
• Exact Mass: 1784.61
• IUPAC Name: 21,24,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,25,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,26,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,27,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene
• SMILES: c1ccc2c(c1)Cc1c-2ccc2c1Cc1c-2ccc2nc3c4cccnc4c4cccnc4n3c12.c1ccc2c(c1)Cc1c-2ccc2c1Cc1c-2ccc2nc3c4ccncc4c4cccnc4n3c12.c1ccc2c(c1)Cc1c-2ccc2c1Cc1c-2ccc2nc3c4cnccc4c4cccnc4n3c12.c1ccc2c(c1)Cc1c-2ccc2c1Cc1c-2ccc2nc3c4ncccc4c4cccnc4n3c12
• InChI: InChI=1S/4C31H18N4/c1-2-6-18-17(5-1)15-24-19(18)9-10-20-21-11-12-27-29(26(21)16-25(20)24)35-30-22(7-4-14-33-30)28-23(31(35)34-27)8-3-13-32-28;1-2-6-18-17(5-1)15-24-19(18)9-10-20-21-11-12-27-29(26(21)16-25(20)24)35-30-23(8-4-14-33-30)22-7-3-13-32-28(22)31(35)34-27;1-2-5-18-17(4-1)14-24-19(18)7-8-20-21-9-10-28-29(26(21)15-25(20)24)35-30-23(6-3-12-33-30)22-11-13-32-16-27(22)31(35)34-28;1-2-5-18-17(4-1)14-24-19(18)7-8-20-21-9-10-28-29(26(21)15-25(20)24)35-30-22(6-3-12-33-30)27-16-32-13-11-23(27)31(35)34-28/h2*1-14H,15-16H2;2*1-13,16H,14-15H2
• InChIKey: LFHBCAPCNQZIHS-UHFFFAOYSA-N
• XLogP: 26.91
• TPSA: 172.32 Ų
• H-Bond Acceptors: 16
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1786.05
LogP ≤ 5	26.91
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 21,24,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,25,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,26,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,27,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene?

The IUPAC name of 21,24,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,25,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,26,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,27,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene (CID 159333909) is 21,24,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,25,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,26,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,27,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene.

What is the SMILES notation for 21,24,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,25,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,26,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,27,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene?

The canonical SMILES for 21,24,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,25,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,26,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,27,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene is c1ccc2c(c1)Cc1c-2ccc2c1Cc1c-2ccc2nc3c4cccnc4c4cccnc4n3c12.c1ccc2c(c1)Cc1c-2ccc2c1Cc1c-2ccc2nc3c4ccncc4c4cccnc4n3c12.c1ccc2c(c1)Cc1c-2ccc2c1Cc1c-2ccc2nc3c4cnccc4c4cccnc4n3c12.c1ccc2c(c1)Cc1c-2ccc2c1Cc1c-2ccc2nc3c4ncccc4c4cccnc4n3c12.

What is the InChIKey of 21,24,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,25,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,26,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,27,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene?

The InChIKey is LFHBCAPCNQZIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/4C31H18N4/c1-2-6-18-17(5-1)15-24-19(18)9-10-20-21-11-12-27-29(26(21)16-25(20)24)35-30-22(7-4-14-33-30)28-23(31(35)34-27)8-3-13-32-28;1-2-6-18-17(5-1)15-24-19(18)9-10-20-21-11-12-27-29(26(21)16-25(20)24)35-30-23(8-4-14-33-30)22-7-3-13-32-28(22)31(35)34-27;1-2-5-18-17(4-1)14-24-19(18)7-8-20-21-9-10-28-29(26(21)15-25(20)24)35-30-23(6-3-12-33-30)22-11-13-32-16-27(22)31(35)34-28;1-2-5-18-17(4-1)14-24-19(18)7-8-20-21-9-10-28-29(26(21)15-25(20)24)35-30-22(6-3-12-33-30)27-16-32-13-11-23(27)31(35)34-28/h2*1-14H,15-16H2;2*1-13,16H,14-15H2.

What are the key properties of 21,24,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,25,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,26,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,27,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene?

21,24,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,25,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,26,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,27,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene has a molecular weight of 1786.05 g/mol, XLogP of 26.91, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 21,24,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,25,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,26,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene;21,27,33,35-tetrazanonacyclo[18.15.0.02,17.04,16.05,13.07,12.022,35.023,28.029,34]pentatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21,23(28),24,26,29(34),30,32-hexadecaene is sourced from PubChem (CID 159333909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).