26-oxa-4,32-diaza-6,49-diazoniatetradecacyclo[25.22.1.14,11.132,45.01,6.02,25.03,22.05,10.016,21.031,50.033,38.039,44.015,52.049,51]dopentaconta-2(25),3(22),5(10),6,8,11(52),12,14,16,18,20,23,27,29,31(50),33,35,37,39,41,43,45(51),46,48-tetracosaene

C47H26N4O+2 — CID 158149289

About 26-oxa-4,32-diaza-6,49-diazoniatetradecacyclo[25.22.1.14,11.132,45.01,6.02,25.03,22.05,10.016,21.031,50.033,38.039,44.015,52.049,51]dopentaconta-2(25),3(22),5(10),6,8,11(52),12,14,16,18,20,23,27,29,31(50),33,35,37,39,41,43,45(51),46,48-tetracosaene

26-oxa-4,32-diaza-6,49-diazoniatetradecacyclo[25.22.1.14,11.132,45.01,6.02,25.03,22.05,10.016,21.031,50.033,38.039,44.015,52.049,51]dopentaconta-2(25),3(22),5(10),6,8,11(52),12,14,16,18,20,23,27,29,31(50),33,35,37,39,41,43,45(51),46,48-tetracosaene (PubChem CID 158149289) has the molecular formula C47H26N4O+2 and a molecular weight of 662.75 g/mol. Its IUPAC name is 26-oxa-4,32-diaza-6,49-diazoniatetradecacyclo[25.22.1.14,11.132,45.01,6.02,25.03,22.05,10.016,21.031,50.033,38.039,44.015,52.049,51]dopentaconta-2(25),3(22),5(10),6,8,11(52),12,14,16,18,20,23,27,29,31(50),33,35,37,39,41,43,45(51),46,48-tetracosaene.

Molecular Properties

• Compound Name: 26-oxa-4,32-diaza-6,49-diazoniatetradecacyclo[25.22.1.14,11.132,45.01,6.02,25.03,22.05,10.016,21.031,50.033,38.039,44.015,52.049,51]dopentaconta-2(25),3(22),5(10),6,8,11(52),12,14,16,18,20,23,27,29,31(50),33,35,37,39,41,43,45(51),46,48-tetracosaene
• PubChem CID: 158149289
• Molecular Formula: C47H26N4O+2
• Molecular Weight: 662.75 g/mol
• Exact Mass: 662.21
• IUPAC Name: 26-oxa-4,32-diaza-6,49-diazoniatetradecacyclo[25.22.1.14,11.132,45.01,6.02,25.03,22.05,10.016,21.031,50.033,38.039,44.015,52.049,51]dopentaconta-2(25),3(22),5(10),6,8,11(52),12,14,16,18,20,23,27,29,31(50),33,35,37,39,41,43,45(51),46,48-tetracosaene
• SMILES: c1ccc2c(c1)-c1ccccc1N1c3cccc4c3C3(c5c(ccc6c5-n5c7c(cccc7c7ccc[n+]3c75)-c3ccccc3-6)O4)[n+]3cccc-2c31
• InChI: InChI=1S/C47H26N4O/c1-4-14-30-27(11-1)31-15-5-6-20-37(31)50-38-21-8-22-39-41(38)47(48-25-9-18-35(30)45(48)50)42-40(52-39)24-23-34-29-13-3-2-12-28(29)32-16-7-17-33-36-19-10-26-49(47)46(36)51(43(32)33)44(34)42/h1-26H/q+2
• InChIKey: VUHHNYQAKFYEQV-UHFFFAOYSA-N
• XLogP: 10.15
• TPSA: 25.16 Ų
• H-Bond Acceptors: 3
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.75
LogP ≤ 5	10.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 26-oxa-4,32-diaza-6,49-diazoniatetradecacyclo[25.22.1.14,11.132,45.01,6.02,25.03,22.05,10.016,21.031,50.033,38.039,44.015,52.049,51]dopentaconta-2(25),3(22),5(10),6,8,11(52),12,14,16,18,20,23,27,29,31(50),33,35,37,39,41,43,45(51),46,48-tetracosaene?

The IUPAC name of 26-oxa-4,32-diaza-6,49-diazoniatetradecacyclo[25.22.1.14,11.132,45.01,6.02,25.03,22.05,10.016,21.031,50.033,38.039,44.015,52.049,51]dopentaconta-2(25),3(22),5(10),6,8,11(52),12,14,16,18,20,23,27,29,31(50),33,35,37,39,41,43,45(51),46,48-tetracosaene (CID 158149289) is 26-oxa-4,32-diaza-6,49-diazoniatetradecacyclo[25.22.1.14,11.132,45.01,6.02,25.03,22.05,10.016,21.031,50.033,38.039,44.015,52.049,51]dopentaconta-2(25),3(22),5(10),6,8,11(52),12,14,16,18,20,23,27,29,31(50),33,35,37,39,41,43,45(51),46,48-tetracosaene.

What is the SMILES notation for 26-oxa-4,32-diaza-6,49-diazoniatetradecacyclo[25.22.1.14,11.132,45.01,6.02,25.03,22.05,10.016,21.031,50.033,38.039,44.015,52.049,51]dopentaconta-2(25),3(22),5(10),6,8,11(52),12,14,16,18,20,23,27,29,31(50),33,35,37,39,41,43,45(51),46,48-tetracosaene?

The canonical SMILES for 26-oxa-4,32-diaza-6,49-diazoniatetradecacyclo[25.22.1.14,11.132,45.01,6.02,25.03,22.05,10.016,21.031,50.033,38.039,44.015,52.049,51]dopentaconta-2(25),3(22),5(10),6,8,11(52),12,14,16,18,20,23,27,29,31(50),33,35,37,39,41,43,45(51),46,48-tetracosaene is c1ccc2c(c1)-c1ccccc1N1c3cccc4c3C3(c5c(ccc6c5-n5c7c(cccc7c7ccc[n+]3c75)-c3ccccc3-6)O4)[n+]3cccc-2c31.

What is the InChIKey of 26-oxa-4,32-diaza-6,49-diazoniatetradecacyclo[25.22.1.14,11.132,45.01,6.02,25.03,22.05,10.016,21.031,50.033,38.039,44.015,52.049,51]dopentaconta-2(25),3(22),5(10),6,8,11(52),12,14,16,18,20,23,27,29,31(50),33,35,37,39,41,43,45(51),46,48-tetracosaene?

The InChIKey is VUHHNYQAKFYEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H26N4O/c1-4-14-30-27(11-1)31-15-5-6-20-37(31)50-38-21-8-22-39-41(38)47(48-25-9-18-35(30)45(48)50)42-40(52-39)24-23-34-29-13-3-2-12-28(29)32-16-7-17-33-36-19-10-26-49(47)46(36)51(43(32)33)44(34)42/h1-26H/q+2.

What are the key properties of 26-oxa-4,32-diaza-6,49-diazoniatetradecacyclo[25.22.1.14,11.132,45.01,6.02,25.03,22.05,10.016,21.031,50.033,38.039,44.015,52.049,51]dopentaconta-2(25),3(22),5(10),6,8,11(52),12,14,16,18,20,23,27,29,31(50),33,35,37,39,41,43,45(51),46,48-tetracosaene?

26-oxa-4,32-diaza-6,49-diazoniatetradecacyclo[25.22.1.14,11.132,45.01,6.02,25.03,22.05,10.016,21.031,50.033,38.039,44.015,52.049,51]dopentaconta-2(25),3(22),5(10),6,8,11(52),12,14,16,18,20,23,27,29,31(50),33,35,37,39,41,43,45(51),46,48-tetracosaene has a molecular weight of 662.75 g/mol, XLogP of 10.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 26-oxa-4,32-diaza-6,49-diazoniatetradecacyclo[25.22.1.14,11.132,45.01,6.02,25.03,22.05,10.016,21.031,50.033,38.039,44.015,52.049,51]dopentaconta-2(25),3(22),5(10),6,8,11(52),12,14,16,18,20,23,27,29,31(50),33,35,37,39,41,43,45(51),46,48-tetracosaene is sourced from PubChem (CID 158149289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).