25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-8,15,25-triazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9,11,13,16(27),17,19,21,23-dodecaene

C51H32N6 — CID 163940731

About 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-8,15,25-triazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9,11,13,16(27),17,19,21,23-dodecaene

25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-8,15,25-triazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9,11,13,16(27),17,19,21,23-dodecaene (PubChem CID 163940731) has the molecular formula C51H32N6 and a molecular weight of 728.86 g/mol. Its IUPAC name is 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-8,15,25-triazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9,11,13,16(27),17,19,21,23-dodecaene.

Molecular Properties

• Compound Name: 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-8,15,25-triazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9,11,13,16(27),17,19,21,23-dodecaene
• PubChem CID: 163940731
• Molecular Formula: C51H32N6
• Molecular Weight: 728.86 g/mol
• Exact Mass: 728.27
• IUPAC Name: 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-8,15,25-triazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9,11,13,16(27),17,19,21,23-dodecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c7c(c8ccccc8n7-c7ccccc7N6c6ccccc6)c54)cc3)n2)cc1
• InChI: InChI=1S/C51H32N6/c1-4-16-33(17-5-1)49-52-50(34-18-6-2-7-19-34)54-51(53-49)35-28-30-37(31-29-35)56-41-24-12-10-22-38(41)40-32-45-48-46(47(40)56)39-23-11-13-25-42(39)57(48)44-27-15-14-26-43(44)55(45)36-20-8-3-9-21-36/h1-32H
• InChIKey: RQTIMKFVFOAWTO-UHFFFAOYSA-N
• XLogP: 12.85
• TPSA: 51.77 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	728.86
LogP ≤ 5	12.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-8,15,25-triazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9,11,13,16(27),17,19,21,23-dodecaene?

The IUPAC name of 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-8,15,25-triazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9,11,13,16(27),17,19,21,23-dodecaene (CID 163940731) is 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-8,15,25-triazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9,11,13,16(27),17,19,21,23-dodecaene.

What is the SMILES notation for 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-8,15,25-triazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9,11,13,16(27),17,19,21,23-dodecaene?

The canonical SMILES for 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-8,15,25-triazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9,11,13,16(27),17,19,21,23-dodecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c7c(c8ccccc8n7-c7ccccc7N6c6ccccc6)c54)cc3)n2)cc1.

What is the InChIKey of 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-8,15,25-triazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9,11,13,16(27),17,19,21,23-dodecaene?

The InChIKey is RQTIMKFVFOAWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N6/c1-4-16-33(17-5-1)49-52-50(34-18-6-2-7-19-34)54-51(53-49)35-28-30-37(31-29-35)56-41-24-12-10-22-38(41)40-32-45-48-46(47(40)56)39-23-11-13-25-42(39)57(48)44-27-15-14-26-43(44)55(45)36-20-8-3-9-21-36/h1-32H.

What are the key properties of 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-8,15,25-triazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9,11,13,16(27),17,19,21,23-dodecaene?

25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-8,15,25-triazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9,11,13,16(27),17,19,21,23-dodecaene has a molecular weight of 728.86 g/mol, XLogP of 12.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-8,15,25-triazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.019,24]heptacosa-1(26),2,4,6,9,11,13,16(27),17,19,21,23-dodecaene is sourced from PubChem (CID 163940731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).