25,27-diazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28,30,32-pentadecaene

C33H22N2 — CID 167541952

About 25,27-diazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28,30,32-pentadecaene

25,27-diazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28,30,32-pentadecaene (PubChem CID 167541952) has the molecular formula C33H22N2 and a molecular weight of 446.55 g/mol. Its IUPAC name is 25,27-diazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28,30,32-pentadecaene.

Molecular Properties

• Compound Name: 25,27-diazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28,30,32-pentadecaene
• PubChem CID: 167541952
• Molecular Formula: C33H22N2
• Molecular Weight: 446.55 g/mol
• Exact Mass: 446.18
• IUPAC Name: 25,27-diazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28,30,32-pentadecaene
• SMILES: c1ccc2c(c1)Cc1c-2ccc2c1-c1cc3c4c(c1C2)Cc1ccccc1N4c1ncccc1C3
• InChI: InChI=1S/C33H22N2/c1-3-9-24-19(6-1)15-27-25(24)12-11-21-17-26-28(31(21)27)18-23-14-22-8-5-13-34-33(22)35-30-10-4-2-7-20(30)16-29(26)32(23)35/h1-13,18H,14-17H2
• InChIKey: OGHIIRNZCIHIGW-UHFFFAOYSA-N
• XLogP: 7.50
• TPSA: 16.13 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.55
LogP ≤ 5	7.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 25,27-diazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28,30,32-pentadecaene?

The IUPAC name of 25,27-diazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28,30,32-pentadecaene (CID 167541952) is 25,27-diazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28,30,32-pentadecaene.

What is the SMILES notation for 25,27-diazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28,30,32-pentadecaene?

The canonical SMILES for 25,27-diazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28,30,32-pentadecaene is c1ccc2c(c1)Cc1c-2ccc2c1-c1cc3c4c(c1C2)Cc1ccccc1N4c1ncccc1C3.

What is the InChIKey of 25,27-diazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28,30,32-pentadecaene?

The InChIKey is OGHIIRNZCIHIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N2/c1-3-9-24-19(6-1)15-27-25(24)12-11-21-17-26-28(31(21)27)18-23-14-22-8-5-13-34-33(22)35-30-10-4-2-7-20(30)16-29(26)32(23)35/h1-13,18H,14-17H2.

What are the key properties of 25,27-diazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28,30,32-pentadecaene?

25,27-diazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28,30,32-pentadecaene has a molecular weight of 446.55 g/mol, XLogP of 7.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 25,27-diazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21(26),22,24,28,30,32-pentadecaene is sourced from PubChem (CID 167541952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).