24-(2,6-dipyridin-2-yl-4-pyridinyl)-3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene

C35H20N6O — CID 122525280

About 24-(2,6-dipyridin-2-yl-4-pyridinyl)-3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene

24-(2,6-dipyridin-2-yl-4-pyridinyl)-3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene (PubChem CID 122525280) has the molecular formula C35H20N6O and a molecular weight of 540.59 g/mol. Its IUPAC name is 24-(2,6-dipyridin-2-yl-4-pyridinyl)-3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene.

Molecular Properties

• Compound Name: 24-(2,6-dipyridin-2-yl-4-pyridinyl)-3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
• PubChem CID: 122525280
• Molecular Formula: C35H20N6O
• Molecular Weight: 540.59 g/mol
• Exact Mass: 540.17
• IUPAC Name: 24-(2,6-dipyridin-2-yl-4-pyridinyl)-3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
• SMILES: c1ccc(-c2cc(-n3c4c(ccc5nccnc54)c4ccc5c6ccccc6oc5c43)cc(-c3ccccn3)n2)nc1
• InChI: InChI=1S/C35H20N6O/c1-2-10-31-22(7-1)25-12-11-24-23-13-14-28-32(39-18-17-38-28)33(23)41(34(24)35(25)42-31)21-19-29(26-8-3-5-15-36-26)40-30(20-21)27-9-4-6-16-37-27/h1-20H
• InChIKey: FYUJCIMJJRQXNO-UHFFFAOYSA-N
• XLogP: 8.15
• TPSA: 82.52 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.59
LogP ≤ 5	8.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 24-(2,6-dipyridin-2-yl-4-pyridinyl)-3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?

The IUPAC name of 24-(2,6-dipyridin-2-yl-4-pyridinyl)-3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene (CID 122525280) is 24-(2,6-dipyridin-2-yl-4-pyridinyl)-3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene.

What is the SMILES notation for 24-(2,6-dipyridin-2-yl-4-pyridinyl)-3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?

The canonical SMILES for 24-(2,6-dipyridin-2-yl-4-pyridinyl)-3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene is c1ccc(-c2cc(-n3c4c(ccc5nccnc54)c4ccc5c6ccccc6oc5c43)cc(-c3ccccn3)n2)nc1.

What is the InChIKey of 24-(2,6-dipyridin-2-yl-4-pyridinyl)-3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?

The InChIKey is FYUJCIMJJRQXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20N6O/c1-2-10-31-22(7-1)25-12-11-24-23-13-14-28-32(39-18-17-38-28)33(23)41(34(24)35(25)42-31)21-19-29(26-8-3-5-15-36-26)40-30(20-21)27-9-4-6-16-37-27/h1-20H.

What are the key properties of 24-(2,6-dipyridin-2-yl-4-pyridinyl)-3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene?

24-(2,6-dipyridin-2-yl-4-pyridinyl)-3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene has a molecular weight of 540.59 g/mol, XLogP of 8.15, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 24-(2,6-dipyridin-2-yl-4-pyridinyl)-3-oxa-18,21,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene is sourced from PubChem (CID 122525280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).