19-iodo-11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16(21),17,19,22(26),23-dodecaene

C24H12INO — CID 148570341

About 19-iodo-11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16(21),17,19,22(26),23-dodecaene

19-iodo-11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16(21),17,19,22(26),23-dodecaene (PubChem CID 148570341) has the molecular formula C24H12INO and a molecular weight of 457.27 g/mol. Its IUPAC name is 19-iodo-11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16(21),17,19,22(26),23-dodecaene.

Molecular Properties

• Compound Name: 19-iodo-11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16(21),17,19,22(26),23-dodecaene
• PubChem CID: 148570341
• Molecular Formula: C24H12INO
• Molecular Weight: 457.27 g/mol
• Exact Mass: 457.00
• IUPAC Name: 19-iodo-11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16(21),17,19,22(26),23-dodecaene
• SMILES: Ic1ccc2c(c1)c1cccc3c4cc5c(cc4n2c13)oc1ccccc15
• InChI: InChI=1S/C24H12INO/c25-13-8-9-20-17(10-13)15-5-3-6-16-18-11-19-14-4-1-2-7-22(14)27-23(19)12-21(18)26(20)24(15)16/h1-12H
• InChIKey: MWTFHNWOOJUIRZ-UHFFFAOYSA-N
• XLogP: 7.34
• TPSA: 17.55 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.27
LogP ≤ 5	7.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 19-iodo-11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16(21),17,19,22(26),23-dodecaene?

The IUPAC name of 19-iodo-11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16(21),17,19,22(26),23-dodecaene (CID 148570341) is 19-iodo-11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16(21),17,19,22(26),23-dodecaene.

What is the SMILES notation for 19-iodo-11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16(21),17,19,22(26),23-dodecaene?

The canonical SMILES for 19-iodo-11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16(21),17,19,22(26),23-dodecaene is Ic1ccc2c(c1)c1cccc3c4cc5c(cc4n2c13)oc1ccccc15.

What is the InChIKey of 19-iodo-11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16(21),17,19,22(26),23-dodecaene?

The InChIKey is MWTFHNWOOJUIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12INO/c25-13-8-9-20-17(10-13)15-5-3-6-16-18-11-19-14-4-1-2-7-22(14)27-23(19)12-21(18)26(20)24(15)16/h1-12H.

What are the key properties of 19-iodo-11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16(21),17,19,22(26),23-dodecaene?

19-iodo-11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16(21),17,19,22(26),23-dodecaene has a molecular weight of 457.27 g/mol, XLogP of 7.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 19-iodo-11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16(21),17,19,22(26),23-dodecaene is sourced from PubChem (CID 148570341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).