13-N,21-N-di(dibenzofuran-2-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine

C66H37N3O4 — CID 146376635

About 13-N,21-N-di(dibenzofuran-2-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine

13-N,21-N-di(dibenzofuran-2-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine (PubChem CID 146376635) has the molecular formula C66H37N3O4 and a molecular weight of 936.04 g/mol. Its IUPAC name is 13-N,21-N-di(dibenzofuran-2-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine.

Molecular Properties

• Compound Name: 13-N,21-N-di(dibenzofuran-2-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine
• PubChem CID: 146376635
• Molecular Formula: C66H37N3O4
• Molecular Weight: 936.04 g/mol
• Exact Mass: 935.28
• IUPAC Name: 13-N,21-N-di(dibenzofuran-2-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine
• SMILES: c1ccc(N(c2ccc3oc4ccccc4c3c2)c2cc3c4ccccc4oc3c3c2c2cccc4c5c(N(c6ccccc6)c6ccc7oc8ccccc8c7c6)cc6c7ccccc7oc6c5n3c24)cc1
• InChI: InChI=1S/C66H37N3O4/c1-3-16-38(17-4-1)67(40-30-32-58-48(34-40)42-20-7-11-26-54(42)70-58)52-36-50-44-22-9-13-28-56(44)72-65(50)63-60(52)46-24-15-25-47-61-53(37-51-45-23-10-14-29-57(45)73-66(51)64(61)69(63)62(46)47)68(39-18-5-2-6-19-39)41-31-33-59-49(35-41)43-21-8-12-27-55(43)71-59/h1-37H
• InChIKey: UWHALJPKMMCCRZ-UHFFFAOYSA-N
• XLogP: 19.37
• TPSA: 63.45 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	936.04
LogP ≤ 5	19.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 13-N,21-N-di(dibenzofuran-2-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine?

The IUPAC name of 13-N,21-N-di(dibenzofuran-2-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine (CID 146376635) is 13-N,21-N-di(dibenzofuran-2-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine.

What is the SMILES notation for 13-N,21-N-di(dibenzofuran-2-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine?

The canonical SMILES for 13-N,21-N-di(dibenzofuran-2-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine is c1ccc(N(c2ccc3oc4ccccc4c3c2)c2cc3c4ccccc4oc3c3c2c2cccc4c5c(N(c6ccccc6)c6ccc7oc8ccccc8c7c6)cc6c7ccccc7oc6c5n3c24)cc1.

What is the InChIKey of 13-N,21-N-di(dibenzofuran-2-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine?

The InChIKey is UWHALJPKMMCCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H37N3O4/c1-3-16-38(17-4-1)67(40-30-32-58-48(34-40)42-20-7-11-26-54(42)70-58)52-36-50-44-22-9-13-28-56(44)72-65(50)63-60(52)46-24-15-25-47-61-53(37-51-45-23-10-14-29-57(45)73-66(51)64(61)69(63)62(46)47)68(39-18-5-2-6-19-39)41-31-33-59-49(35-41)43-21-8-12-27-55(43)71-59/h1-37H.

What are the key properties of 13-N,21-N-di(dibenzofuran-2-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine?

13-N,21-N-di(dibenzofuran-2-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine has a molecular weight of 936.04 g/mol, XLogP of 19.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 13-N,21-N-di(dibenzofuran-2-yl)-13-N,21-N-diphenyl-4,30-dioxa-1-azanonacyclo[17.13.1.02,14.03,11.05,10.015,33.020,32.023,31.024,29]tritriaconta-2,5,7,9,11,13,15(33),16,18,20,22,24,26,28,31-pentadecaene-13,21-diamine is sourced from PubChem (CID 146376635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).