13-N,21-N-bis(4-nitrosophenyl)-13-N,21-N-bis(4-propan-2-ylphenyl)-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

C60H43N5O4 — CID 167304209

About 13-N,21-N-bis(4-nitrosophenyl)-13-N,21-N-bis(4-propan-2-ylphenyl)-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-bis(4-nitrosophenyl)-13-N,21-N-bis(4-propan-2-ylphenyl)-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 167304209) has the molecular formula C60H43N5O4 and a molecular weight of 898.04 g/mol. Its IUPAC name is 13-N,21-N-bis(4-nitrosophenyl)-13-N,21-N-bis(4-propan-2-ylphenyl)-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-bis(4-nitrosophenyl)-13-N,21-N-bis(4-propan-2-ylphenyl)-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: 167304209
• Molecular Formula: C60H43N5O4
• Molecular Weight: 898.04 g/mol
• Exact Mass: 897.33
• IUPAC Name: 13-N,21-N-bis(4-nitrosophenyl)-13-N,21-N-bis(4-propan-2-ylphenyl)-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: CC(C)c1ccc(N(c2ccc(N=O)cc2)c2cc3c4ccccc4oc3c3c2c2cccc4c5c(N(c6ccc(N=O)cc6)c6ccc(C(C)C)cc6)cc6c7ccccc7oc6c5n3c24)cc1
• InChI: InChI=1S/C60H43N5O4/c1-34(2)36-16-24-40(25-17-36)63(42-28-20-38(61-66)21-29-42)50-32-48-44-10-5-7-14-52(44)68-59(48)57-54(50)46-12-9-13-47-55-51(33-49-45-11-6-8-15-53(45)69-60(49)58(55)65(57)56(46)47)64(43-30-22-39(62-67)23-31-43)41-26-18-37(19-27-41)35(3)4/h5-35H,1-4H3
• InChIKey: OOVYCPACNADQOL-UHFFFAOYSA-N
• XLogP: 18.62
• TPSA: 96.03 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	898.04
LogP ≤ 5	18.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 13-N,21-N-bis(4-nitrosophenyl)-13-N,21-N-bis(4-propan-2-ylphenyl)-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-bis(4-nitrosophenyl)-13-N,21-N-bis(4-propan-2-ylphenyl)-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 167304209) is 13-N,21-N-bis(4-nitrosophenyl)-13-N,21-N-bis(4-propan-2-ylphenyl)-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-bis(4-nitrosophenyl)-13-N,21-N-bis(4-propan-2-ylphenyl)-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-bis(4-nitrosophenyl)-13-N,21-N-bis(4-propan-2-ylphenyl)-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 CC(C)c1ccc(N(c2ccc(N=O)cc2)c2cc3c4ccccc4oc3c3c2c2cccc4c5c(N(c6ccc(N=O)cc6)c6ccc(C(C)C)cc6)cc6c7ccccc7oc6c5n3c24)cc1.

What is the InChIKey of 13-N,21-N-bis(4-nitrosophenyl)-13-N,21-N-bis(4-propan-2-ylphenyl)-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 OOVYCPACNADQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43N5O4/c1-34(2)36-16-24-40(25-17-36)63(42-28-20-38(61-66)21-29-42)50-32-48-44-10-5-7-14-52(44)68-59(48)57-54(50)46-12-9-13-47-55-51(33-49-45-11-6-8-15-53(45)69-60(49)58(55)65(57)56(46)47)64(43-30-22-39(62-67)23-31-43)41-26-18-37(19-27-41)35(3)4/h5-35H,1-4H3.

What are the key properties of 13-N,21-N-bis(4-nitrosophenyl)-13-N,21-N-bis(4-propan-2-ylphenyl)-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-bis(4-nitrosophenyl)-13-N,21-N-bis(4-propan-2-ylphenyl)-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 898.04 g/mol, XLogP of 18.62, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 13-N,21-N-bis(4-nitrosophenyl)-13-N,21-N-bis(4-propan-2-ylphenyl)-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 167304209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).