21,25,29,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,30,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,31,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,32,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene

C124H72N16 — CID 161047572

About 21,25,29,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,30,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,31,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,32,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene

21,25,29,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,30,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,31,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,32,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene (PubChem CID 161047572) has the molecular formula C124H72N16 and a molecular weight of 1786.05 g/mol. Its IUPAC name is 21,25,29,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,30,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,31,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,32,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene.

Molecular Properties

• Compound Name: 21,25,29,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,30,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,31,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,32,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene
• PubChem CID: 161047572
• Molecular Formula: C124H72N16
• Molecular Weight: 1786.05 g/mol
• Exact Mass: 1784.61
• IUPAC Name: 21,25,29,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,30,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,31,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,32,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene
• SMILES: c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cc2c(cc1-3)nc1c3cccnc3c3cnccc3n21.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cc2c(cc1-3)nc1c3ccncc3c3cnccc3n21.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cc2c(cc1-3)nc1c3cnccc3c3cnccc3n21.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cc2c(cc1-3)nc1c3ncccc3c3cnccc3n21
• InChI: InChI=1S/4C31H18N4/c1-2-5-21-17(4-1)10-18-13-24-19(12-23(18)21)11-20-14-29-27(15-25(20)24)34-31-22-6-3-8-33-30(22)26-16-32-9-7-28(26)35(29)31;1-2-5-21-17(4-1)10-18-13-24-19(12-23(18)21)11-20-14-29-27(15-25(20)24)34-31-30-22(6-3-8-33-30)26-16-32-9-7-28(26)35(29)31;1-2-4-21-17(3-1)9-18-12-24-19(11-23(18)21)10-20-13-30-28(14-25(20)24)34-31-22-5-7-32-15-26(22)27-16-33-8-6-29(27)35(30)31;1-2-4-21-17(3-1)9-18-12-24-19(11-23(18)21)10-20-13-30-28(14-25(20)24)34-31-27-16-32-7-5-22(27)26-15-33-8-6-29(26)35(30)31/h2*1-9,12-16H,10-11H2;2*1-8,11-16H,9-10H2
• InChIKey: UBRWSWSUBIDDIB-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 21,25,29,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,30,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,31,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,32,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene?

The IUPAC name of 21,25,29,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,30,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,31,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,32,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene (CID 161047572) is 21,25,29,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,30,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,31,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,32,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene.

What is the SMILES notation for 21,25,29,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,30,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,31,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,32,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene?

The canonical SMILES for 21,25,29,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,30,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,31,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,32,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene is c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cc2c(cc1-3)nc1c3cccnc3c3cnccc3n21.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cc2c(cc1-3)nc1c3ccncc3c3cnccc3n21.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cc2c(cc1-3)nc1c3cnccc3c3cnccc3n21.c1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cc2c(cc1-3)nc1c3ncccc3c3cnccc3n21.

What is the InChIKey of 21,25,29,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,30,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,31,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,32,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene?

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

What are the key properties of 21,25,29,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,30,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,31,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,32,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene?

21,25,29,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,30,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,31,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,32,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-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 21,25,29,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,30,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,31,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene;21,25,32,35-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,34.022,27.028,33]pentatriaconta-1(20),2,4(16),5,8,10,12,14,18,22(27),23,25,28(33),29,31,34-hexadecaene is sourced from PubChem (CID 161047572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).