11,20-diazatridecacyclo[25.21.1.14,11.02,19.05,10.012,17.020,49.021,26.028,47.029,34.035,40.041,46.018,50]pentaconta-1(49),2(19),3,5,7,9,12,14,16,18(50),21,23,25,27,29,31,33,35,37,39,41,43,45,47-tetracosaene

C48H26N2 — CID 170211061

About 11,20-diazatridecacyclo[25.21.1.14,11.02,19.05,10.012,17.020,49.021,26.028,47.029,34.035,40.041,46.018,50]pentaconta-1(49),2(19),3,5,7,9,12,14,16,18(50),21,23,25,27,29,31,33,35,37,39,41,43,45,47-tetracosaene

11,20-diazatridecacyclo[25.21.1.14,11.02,19.05,10.012,17.020,49.021,26.028,47.029,34.035,40.041,46.018,50]pentaconta-1(49),2(19),3,5,7,9,12,14,16,18(50),21,23,25,27,29,31,33,35,37,39,41,43,45,47-tetracosaene (PubChem CID 170211061) has the molecular formula C48H26N2 and a molecular weight of 630.75 g/mol. Its IUPAC name is 11,20-diazatridecacyclo[25.21.1.14,11.02,19.05,10.012,17.020,49.021,26.028,47.029,34.035,40.041,46.018,50]pentaconta-1(49),2(19),3,5,7,9,12,14,16,18(50),21,23,25,27,29,31,33,35,37,39,41,43,45,47-tetracosaene.

Molecular Properties

• Compound Name: 11,20-diazatridecacyclo[25.21.1.14,11.02,19.05,10.012,17.020,49.021,26.028,47.029,34.035,40.041,46.018,50]pentaconta-1(49),2(19),3,5,7,9,12,14,16,18(50),21,23,25,27,29,31,33,35,37,39,41,43,45,47-tetracosaene
• PubChem CID: 170211061
• Molecular Formula: C48H26N2
• Molecular Weight: 630.75 g/mol
• Exact Mass: 630.21
• IUPAC Name: 11,20-diazatridecacyclo[25.21.1.14,11.02,19.05,10.012,17.020,49.021,26.028,47.029,34.035,40.041,46.018,50]pentaconta-1(49),2(19),3,5,7,9,12,14,16,18(50),21,23,25,27,29,31,33,35,37,39,41,43,45,47-tetracosaene
• SMILES: c1ccc2c(c1)-c1ccccc1-c1cc3c4cc5c6ccccc6n6c7ccccc7c(c56)c4n4c5ccccc5c(c1-c1ccccc1-2)c34
• InChI: InChI=1S/C48H26N2/c1-2-14-28-27(13-1)29-15-3-4-17-31(29)36-25-38-39-26-37-32-18-7-10-22-40(32)49-41-23-11-9-21-35(41)45(47(37)49)48(39)50-42-24-12-8-20-34(42)44(46(38)50)43(36)33-19-6-5-16-30(28)33/h1-26H/b29-27-,30-28-,36-31-,43-33+
• InChIKey: QMDZZNFYFKJJJS-ITVQEIHJSA-N
• XLogP: 12.97
• TPSA: 8.82 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	630.75
LogP ≤ 5	12.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 11,20-diazatridecacyclo[25.21.1.14,11.02,19.05,10.012,17.020,49.021,26.028,47.029,34.035,40.041,46.018,50]pentaconta-1(49),2(19),3,5,7,9,12,14,16,18(50),21,23,25,27,29,31,33,35,37,39,41,43,45,47-tetracosaene?

The IUPAC name of 11,20-diazatridecacyclo[25.21.1.14,11.02,19.05,10.012,17.020,49.021,26.028,47.029,34.035,40.041,46.018,50]pentaconta-1(49),2(19),3,5,7,9,12,14,16,18(50),21,23,25,27,29,31,33,35,37,39,41,43,45,47-tetracosaene (CID 170211061) is 11,20-diazatridecacyclo[25.21.1.14,11.02,19.05,10.012,17.020,49.021,26.028,47.029,34.035,40.041,46.018,50]pentaconta-1(49),2(19),3,5,7,9,12,14,16,18(50),21,23,25,27,29,31,33,35,37,39,41,43,45,47-tetracosaene.

What is the SMILES notation for 11,20-diazatridecacyclo[25.21.1.14,11.02,19.05,10.012,17.020,49.021,26.028,47.029,34.035,40.041,46.018,50]pentaconta-1(49),2(19),3,5,7,9,12,14,16,18(50),21,23,25,27,29,31,33,35,37,39,41,43,45,47-tetracosaene?

The canonical SMILES for 11,20-diazatridecacyclo[25.21.1.14,11.02,19.05,10.012,17.020,49.021,26.028,47.029,34.035,40.041,46.018,50]pentaconta-1(49),2(19),3,5,7,9,12,14,16,18(50),21,23,25,27,29,31,33,35,37,39,41,43,45,47-tetracosaene is c1ccc2c(c1)-c1ccccc1-c1cc3c4cc5c6ccccc6n6c7ccccc7c(c56)c4n4c5ccccc5c(c1-c1ccccc1-2)c34.

What is the InChIKey of 11,20-diazatridecacyclo[25.21.1.14,11.02,19.05,10.012,17.020,49.021,26.028,47.029,34.035,40.041,46.018,50]pentaconta-1(49),2(19),3,5,7,9,12,14,16,18(50),21,23,25,27,29,31,33,35,37,39,41,43,45,47-tetracosaene?

The InChIKey is QMDZZNFYFKJJJS-ITVQEIHJSA-N. The full InChI is InChI=1S/C48H26N2/c1-2-14-28-27(13-1)29-15-3-4-17-31(29)36-25-38-39-26-37-32-18-7-10-22-40(32)49-41-23-11-9-21-35(41)45(47(37)49)48(39)50-42-24-12-8-20-34(42)44(46(38)50)43(36)33-19-6-5-16-30(28)33/h1-26H/b29-27-,30-28-,36-31-,43-33+.

What are the key properties of 11,20-diazatridecacyclo[25.21.1.14,11.02,19.05,10.012,17.020,49.021,26.028,47.029,34.035,40.041,46.018,50]pentaconta-1(49),2(19),3,5,7,9,12,14,16,18(50),21,23,25,27,29,31,33,35,37,39,41,43,45,47-tetracosaene?

11,20-diazatridecacyclo[25.21.1.14,11.02,19.05,10.012,17.020,49.021,26.028,47.029,34.035,40.041,46.018,50]pentaconta-1(49),2(19),3,5,7,9,12,14,16,18(50),21,23,25,27,29,31,33,35,37,39,41,43,45,47-tetracosaene has a molecular weight of 630.75 g/mol, XLogP of 12.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 11,20-diazatridecacyclo[25.21.1.14,11.02,19.05,10.012,17.020,49.021,26.028,47.029,34.035,40.041,46.018,50]pentaconta-1(49),2(19),3,5,7,9,12,14,16,18(50),21,23,25,27,29,31,33,35,37,39,41,43,45,47-tetracosaene is sourced from PubChem (CID 170211061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).