24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-17,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene

C38H26N6 — CID 122524021

About 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-17,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene

24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-17,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene (PubChem CID 122524021) has the molecular formula C38H26N6 and a molecular weight of 566.67 g/mol. Its IUPAC name is 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-17,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene.

Molecular Properties

• Compound Name: 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-17,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
• PubChem CID: 122524021
• Molecular Formula: C38H26N6
• Molecular Weight: 566.67 g/mol
• Exact Mass: 566.22
• IUPAC Name: 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-17,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
• SMILES: CC1(C)c2ccccc2-c2ccc3c4cc5nccnc5cc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21
• InChI: InChI=1S/C38H26N6/c1-38(2)29-16-10-9-15-25(29)26-17-18-27-28-21-30-31(40-20-19-39-30)22-32(28)44(34(27)33(26)38)37-42-35(23-11-5-3-6-12-23)41-36(43-37)24-13-7-4-8-14-24/h3-22H,1-2H3
• InChIKey: BVYMLGCTRDKKFE-UHFFFAOYSA-N
• XLogP: 8.55
• TPSA: 69.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.67
LogP ≤ 5	8.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-17,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene?

The IUPAC name of 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-17,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene (CID 122524021) is 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-17,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene.

What is the SMILES notation for 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-17,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene?

The canonical SMILES for 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-17,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene is CC1(C)c2ccccc2-c2ccc3c4cc5nccnc5cc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c21.

What is the InChIKey of 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-17,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene?

The InChIKey is BVYMLGCTRDKKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N6/c1-38(2)29-16-10-9-15-25(29)26-17-18-27-28-21-30-31(40-20-19-39-30)22-32(28)44(34(27)33(26)38)37-42-35(23-11-5-3-6-12-23)41-36(43-37)24-13-7-4-8-14-24/h3-22H,1-2H3.

What are the key properties of 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-17,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene?

24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-17,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene has a molecular weight of 566.67 g/mol, XLogP of 8.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethyl-17,20,24-triazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene is sourced from PubChem (CID 122524021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).