24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene

C42H26N6 — CID 140939642

About 24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene

24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene (PubChem CID 140939642) has the molecular formula C42H26N6 and a molecular weight of 614.71 g/mol. Its IUPAC name is 24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene.

Molecular Properties

• Compound Name: 24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene
• PubChem CID: 140939642
• Molecular Formula: C42H26N6
• Molecular Weight: 614.71 g/mol
• Exact Mass: 614.22
• IUPAC Name: 24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6ccccc6c6nc7ccccc7n6c54)cc3)n2)cc1
• InChI: InChI=1S/C42H26N6/c1-3-13-27(14-4-1)38-44-39(28-15-5-2-6-16-28)46-40(45-38)29-23-25-30(26-24-29)47-35-21-11-9-19-33(35)37-31-17-7-8-18-32(31)41-43-34-20-10-12-22-36(34)48(41)42(37)47/h1-26H
• InChIKey: BTGJBMRHHGANSV-UHFFFAOYSA-N
• XLogP: 9.92
• TPSA: 60.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.71
LogP ≤ 5	9.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene?

The IUPAC name of 24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene (CID 140939642) is 24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene.

What is the SMILES notation for 24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene?

The canonical SMILES for 24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6ccccc6c6nc7ccccc7n6c54)cc3)n2)cc1.

What is the InChIKey of 24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene?

The InChIKey is BTGJBMRHHGANSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N6/c1-3-13-27(14-4-1)38-44-39(28-15-5-2-6-16-28)46-40(45-38)29-23-25-30(26-24-29)47-35-21-11-9-19-33(35)37-31-17-7-8-18-32(31)41-43-34-20-10-12-22-36(34)48(41)42(37)47/h1-26H.

What are the key properties of 24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene?

24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene has a molecular weight of 614.71 g/mol, XLogP of 9.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 140939642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).