13-N,21-N-diphenyl-13-N,21-N-bis(3-phenylphenyl)-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

C66H41N3O2 — CID 146376626

About 13-N,21-N-diphenyl-13-N,21-N-bis(3-phenylphenyl)-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-diphenyl-13-N,21-N-bis(3-phenylphenyl)-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 146376626) has the molecular formula C66H41N3O2 and a molecular weight of 908.07 g/mol. Its IUPAC name is 13-N,21-N-diphenyl-13-N,21-N-bis(3-phenylphenyl)-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-diphenyl-13-N,21-N-bis(3-phenylphenyl)-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: 146376626
• Molecular Formula: C66H41N3O2
• Molecular Weight: 908.07 g/mol
• Exact Mass: 907.32
• IUPAC Name: 13-N,21-N-diphenyl-13-N,21-N-bis(3-phenylphenyl)-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(-c2cccc(N(c3ccccc3)c3cc4c5ccccc5oc4c4c3c3cccc5c6c(N(c7ccccc7)c7cccc(-c8ccccc8)c7)cc7c8ccccc8oc7c6n4c35)c2)cc1
• InChI: InChI=1S/C66H41N3O2/c1-5-20-42(21-6-1)44-24-17-30-48(38-44)67(46-26-9-3-10-27-46)56-40-54-50-32-13-15-36-58(50)70-65(54)63-60(56)52-34-19-35-53-61-57(41-55-51-33-14-16-37-59(51)71-66(55)64(61)69(63)62(52)53)68(47-28-11-4-12-29-47)49-31-18-25-45(39-49)43-22-7-2-8-23-43/h1-41H
• InChIKey: ZFTDTJZPLIPQGI-UHFFFAOYSA-N
• XLogP: 18.91
• TPSA: 37.17 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	908.07
LogP ≤ 5	18.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 13-N,21-N-diphenyl-13-N,21-N-bis(3-phenylphenyl)-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-diphenyl-13-N,21-N-bis(3-phenylphenyl)-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 146376626) is 13-N,21-N-diphenyl-13-N,21-N-bis(3-phenylphenyl)-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-diphenyl-13-N,21-N-bis(3-phenylphenyl)-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-diphenyl-13-N,21-N-bis(3-phenylphenyl)-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(-c2cccc(N(c3ccccc3)c3cc4c5ccccc5oc4c4c3c3cccc5c6c(N(c7ccccc7)c7cccc(-c8ccccc8)c7)cc7c8ccccc8oc7c6n4c35)c2)cc1.

What is the InChIKey of 13-N,21-N-diphenyl-13-N,21-N-bis(3-phenylphenyl)-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 ZFTDTJZPLIPQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41N3O2/c1-5-20-42(21-6-1)44-24-17-30-48(38-44)67(46-26-9-3-10-27-46)56-40-54-50-32-13-15-36-58(50)70-65(54)63-60(56)52-34-19-35-53-61-57(41-55-51-33-14-16-37-59(51)71-66(55)64(61)69(63)62(52)53)68(47-28-11-4-12-29-47)49-31-18-25-45(39-49)43-22-7-2-8-23-43/h1-41H.

What are the key properties of 13-N,21-N-diphenyl-13-N,21-N-bis(3-phenylphenyl)-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-diphenyl-13-N,21-N-bis(3-phenylphenyl)-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 908.07 g/mol, XLogP of 18.91, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 13-N,21-N-diphenyl-13-N,21-N-bis(3-phenylphenyl)-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 146376626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).