1,17,25-triazaheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene

C25H17N3 — CID 167651631

About 1,17,25-triazaheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene

1,17,25-triazaheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene (PubChem CID 167651631) has the molecular formula C25H17N3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1,17,25-triazaheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene.

Molecular Properties

• Compound Name: 1,17,25-triazaheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene
• PubChem CID: 167651631
• Molecular Formula: C25H17N3
• Molecular Weight: 359.43 g/mol
• Exact Mass: 359.14
• IUPAC Name: 1,17,25-triazaheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene
• SMILES: c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1nccc2c1N3c1cnccc1C2
• InChI: InChI=1S/C25H17N3/c1-2-4-19-15(3-1)11-17-5-6-22-20(24(17)19)13-21-25-18(8-10-27-21)12-16-7-9-26-14-23(16)28(22)25/h1-10,14H,11-13H2
• InChIKey: HFAILNWOUVIMKB-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 29.02 Ų
• H-Bond Acceptors: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	359.43
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1,17,25-triazaheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene?

The IUPAC name of 1,17,25-triazaheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene (CID 167651631) is 1,17,25-triazaheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene.

What is the SMILES notation for 1,17,25-triazaheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene?

The canonical SMILES for 1,17,25-triazaheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene is c1ccc2c(c1)Cc1ccc3c(c1-2)Cc1nccc2c1N3c1cnccc1C2.

What is the InChIKey of 1,17,25-triazaheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene?

The InChIKey is HFAILNWOUVIMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3/c1-2-4-19-15(3-1)11-17-5-6-22-20(24(17)19)13-21-25-18(8-10-27-21)12-16-7-9-26-14-23(16)28(22)25/h1-10,14H,11-13H2.

What are the key properties of 1,17,25-triazaheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene?

1,17,25-triazaheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene has a molecular weight of 359.43 g/mol, XLogP of 5.33, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1,17,25-triazaheptacyclo[14.11.1.02,14.05,13.07,12.020,28.022,27]octacosa-2(14),3,5(13),7,9,11,16,18,20(28),22(27),23,25-dodecaene is sourced from PubChem (CID 167651631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).