8-(2,6-dimethylphenyl)-20-oxa-9,11,14,31-tetraza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,11,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,12,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,13,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,14,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene

C189H114N26O5+10 — CID 157424481

About 8-(2,6-dimethylphenyl)-20-oxa-9,11,14,31-tetraza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,11,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,12,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,13,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,14,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene

8-(2,6-dimethylphenyl)-20-oxa-9,11,14,31-tetraza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,11,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,12,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,13,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,14,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene (PubChem CID 157424481) has the molecular formula C189H114N26O5+10 and a molecular weight of 2829.17 g/mol. Its IUPAC name is 8-(2,6-dimethylphenyl)-20-oxa-9,11,14,31-tetraza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,11,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,12,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,13,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,14,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene.

Molecular Properties

• Compound Name: 8-(2,6-dimethylphenyl)-20-oxa-9,11,14,31-tetraza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,11,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,12,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,13,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,14,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene
• PubChem CID: 157424481
• Molecular Formula: C189H114N26O5+10
• Molecular Weight: 2829.17 g/mol
• Exact Mass: 2826.94
• IUPAC Name: 8-(2,6-dimethylphenyl)-20-oxa-9,11,14,31-tetraza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,11,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,12,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,13,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,14,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene
• SMILES: Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4cccnc4n13)Oc1ccc3c4ccccc4n4cc[n+]6c4c3c1C562.Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4ccncc4n13)Oc1ccc3c4ccccc4n4cc[n+]6c4c3c1C562.Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4cnccc4n13)Oc1ccc3c4ccccc4n4cc[n+]6c4c3c1C562.Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4ncccc4n13)Oc1ccc3c4ccccc4n4cc[n+]6c4c3c1C562.Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4nccnc4n13)Oc1ccc3c4ccccc4n4cc[n+]6c4c3c1C562
• InChI: InChI=1S/4C38H23N5O.C37H22N6O/c1-20-7-5-8-21(2)30(20)27-19-42-37-32-24(25-10-6-16-39-35(25)43(27)37)13-15-29-34(32)38(42)33-28(44-29)14-12-23-22-9-3-4-11-26(22)40-17-18-41(38)36(40)31(23)33;1-20-7-5-8-21(2)30(20)27-19-42-37-32-24(35-26(43(27)37)11-6-16-39-35)13-15-29-34(32)38(42)33-28(44-29)14-12-23-22-9-3-4-10-25(22)40-17-18-41(38)36(40)31(23)33;1-20-6-5-7-21(2)31(20)28-19-42-37-33-25(23-14-15-39-18-27(23)43(28)37)11-13-30-35(33)38(42)34-29(44-30)12-10-24-22-8-3-4-9-26(22)40-16-17-41(38)36(40)32(24)34;1-20-6-5-7-21(2)31(20)28-19-42-37-33-24(25-18-39-15-14-27(25)43(28)37)11-13-30-35(33)38(42)34-29(44-30)12-10-23-22-8-3-4-9-26(22)40-16-17-41(38)36(40)32(23)34;1-19-6-5-7-20(2)28(19)25-18-42-36-30-23(33-34(43(25)36)39-15-14-38-33)11-13-27-32(30)37(42)31-26(44-27)12-10-22-21-8-3-4-9-24(21)40-16-17-41(37)35(40)29(22)31/h4*3-19H,1-2H3;3-18H,1-2H3/q5*+2
• InChIKey: AUXLGVORSDEUTK-UHFFFAOYSA-N
• XLogP: 34.84
• TPSA: 206.39 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 5
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2829.17
LogP ≤ 5	34.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dimethylphenyl)-20-oxa-9,11,14,31-tetraza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,11,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,12,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,13,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,14,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene?

The IUPAC name of 8-(2,6-dimethylphenyl)-20-oxa-9,11,14,31-tetraza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,11,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,12,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,13,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,14,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene (CID 157424481) is 8-(2,6-dimethylphenyl)-20-oxa-9,11,14,31-tetraza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,11,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,12,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,13,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,14,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene.

What is the SMILES notation for 8-(2,6-dimethylphenyl)-20-oxa-9,11,14,31-tetraza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,11,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,12,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,13,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,14,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene?

The canonical SMILES for 8-(2,6-dimethylphenyl)-20-oxa-9,11,14,31-tetraza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,11,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,12,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,13,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,14,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene is Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4cccnc4n13)Oc1ccc3c4ccccc4n4cc[n+]6c4c3c1C562.Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4ccncc4n13)Oc1ccc3c4ccccc4n4cc[n+]6c4c3c1C562.Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4cnccc4n13)Oc1ccc3c4ccccc4n4cc[n+]6c4c3c1C562.Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4ncccc4n13)Oc1ccc3c4ccccc4n4cc[n+]6c4c3c1C562.Cc1cccc(C)c1-c1c[n+]2c3c4c5c(ccc4c4nccnc4n13)Oc1ccc3c4ccccc4n4cc[n+]6c4c3c1C562.

What is the InChIKey of 8-(2,6-dimethylphenyl)-20-oxa-9,11,14,31-tetraza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,11,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,12,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,13,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,14,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene?

The InChIKey is AUXLGVORSDEUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C38H23N5O.C37H22N6O/c1-20-7-5-8-21(2)30(20)27-19-42-37-32-24(25-10-6-16-39-35(25)43(27)37)13-15-29-34(32)38(42)33-28(44-29)14-12-23-22-9-3-4-11-26(22)40-17-18-41(38)36(40)31(23)33;1-20-7-5-8-21(2)30(20)27-19-42-37-32-24(35-26(43(27)37)11-6-16-39-35)13-15-29-34(32)38(42)33-28(44-29)14-12-23-22-9-3-4-10-25(22)40-17-18-41(38)36(40)31(23)33;1-20-6-5-7-21(2)31(20)28-19-42-37-33-25(23-14-15-39-18-27(23)43(28)37)11-13-30-35(33)38(42)34-29(44-30)12-10-24-22-8-3-4-9-26(22)40-16-17-41(38)36(40)32(24)34;1-20-6-5-7-21(2)31(20)28-19-42-37-33-24(25-18-39-15-14-27(25)43(28)37)11-13-30-35(33)38(42)34-29(44-30)12-10-23-22-8-3-4-9-26(22)40-16-17-41(38)36(40)32(23)34;1-19-6-5-7-20(2)28(19)25-18-42-36-30-23(33-34(43(25)36)39-15-14-38-33)11-13-27-32(30)37(42)31-26(44-27)12-10-22-21-8-3-4-9-24(21)40-16-17-41(37)35(40)29(22)31/h4*3-19H,1-2H3;3-18H,1-2H3/q5*+2.

What are the key properties of 8-(2,6-dimethylphenyl)-20-oxa-9,11,14,31-tetraza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,11,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,12,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,13,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,14,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene?

8-(2,6-dimethylphenyl)-20-oxa-9,11,14,31-tetraza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,11,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,12,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,13,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,14,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene has a molecular weight of 2829.17 g/mol, XLogP of 34.84, 5 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2,6-dimethylphenyl)-20-oxa-9,11,14,31-tetraza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10,12,14,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,11,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,12,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,13,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene;8-(2,6-dimethylphenyl)-20-oxa-9,14,31-triaza-6,34-diazoniaundecacyclo[19.15.0.02,6.02,34.03,19.04,16.05,9.010,15.024,36.025,30.031,35]hexatriaconta-1(21),3(19),4(16),5,7,10(15),11,13,17,22,24(36),25,27,29,32,34-hexadecaene is sourced from PubChem (CID 157424481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).