8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-phenyl-8,17-diazahexacyclo[13.11.0.02,7.09,14.016,24.018,23]hexacosa-1(15),2,4,6,9,11,13,16(24),18,20,22,25-dodecaene

C51H33N5 — CID 118363438

About 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-phenyl-8,17-diazahexacyclo[13.11.0.02,7.09,14.016,24.018,23]hexacosa-1(15),2,4,6,9,11,13,16(24),18,20,22,25-dodecaene

8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-phenyl-8,17-diazahexacyclo[13.11.0.02,7.09,14.016,24.018,23]hexacosa-1(15),2,4,6,9,11,13,16(24),18,20,22,25-dodecaene (PubChem CID 118363438) has the molecular formula C51H33N5 and a molecular weight of 715.86 g/mol. Its IUPAC name is 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-phenyl-8,17-diazahexacyclo[13.11.0.02,7.09,14.016,24.018,23]hexacosa-1(15),2,4,6,9,11,13,16(24),18,20,22,25-dodecaene.

Molecular Properties

• Compound Name: 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-phenyl-8,17-diazahexacyclo[13.11.0.02,7.09,14.016,24.018,23]hexacosa-1(15),2,4,6,9,11,13,16(24),18,20,22,25-dodecaene
• PubChem CID: 118363438
• Molecular Formula: C51H33N5
• Molecular Weight: 715.86 g/mol
• Exact Mass: 715.27
• IUPAC Name: 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-phenyl-8,17-diazahexacyclo[13.11.0.02,7.09,14.016,24.018,23]hexacosa-1(15),2,4,6,9,11,13,16(24),18,20,22,25-dodecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(N4c5ccccc5-c5ccc6c7ccccc7n(-c7ccccc7)c6c5-c5ccccc54)c3)n2)cc1
• InChI: InChI=1S/C51H33N5/c1-4-17-34(18-5-1)49-52-50(35-19-6-2-7-20-35)54-51(53-49)36-21-16-24-38(33-36)55-44-28-13-10-25-39(44)41-31-32-42-40-26-11-14-29-45(40)56(37-22-8-3-9-23-37)48(42)47(41)43-27-12-15-30-46(43)55/h1-33H
• InChIKey: OYOLBSOFVFYTFJ-UHFFFAOYSA-N
• XLogP: 13.09
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.86
LogP ≤ 5	13.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-phenyl-8,17-diazahexacyclo[13.11.0.02,7.09,14.016,24.018,23]hexacosa-1(15),2,4,6,9,11,13,16(24),18,20,22,25-dodecaene?

The IUPAC name of 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-phenyl-8,17-diazahexacyclo[13.11.0.02,7.09,14.016,24.018,23]hexacosa-1(15),2,4,6,9,11,13,16(24),18,20,22,25-dodecaene (CID 118363438) is 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-phenyl-8,17-diazahexacyclo[13.11.0.02,7.09,14.016,24.018,23]hexacosa-1(15),2,4,6,9,11,13,16(24),18,20,22,25-dodecaene.

What is the SMILES notation for 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-phenyl-8,17-diazahexacyclo[13.11.0.02,7.09,14.016,24.018,23]hexacosa-1(15),2,4,6,9,11,13,16(24),18,20,22,25-dodecaene?

The canonical SMILES for 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-phenyl-8,17-diazahexacyclo[13.11.0.02,7.09,14.016,24.018,23]hexacosa-1(15),2,4,6,9,11,13,16(24),18,20,22,25-dodecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(N4c5ccccc5-c5ccc6c7ccccc7n(-c7ccccc7)c6c5-c5ccccc54)c3)n2)cc1.

What is the InChIKey of 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-phenyl-8,17-diazahexacyclo[13.11.0.02,7.09,14.016,24.018,23]hexacosa-1(15),2,4,6,9,11,13,16(24),18,20,22,25-dodecaene?

The InChIKey is OYOLBSOFVFYTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5/c1-4-17-34(18-5-1)49-52-50(35-19-6-2-7-20-35)54-51(53-49)36-21-16-24-38(33-36)55-44-28-13-10-25-39(44)41-31-32-42-40-26-11-14-29-45(40)56(37-22-8-3-9-23-37)48(42)47(41)43-27-12-15-30-46(43)55/h1-33H.

What are the key properties of 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-phenyl-8,17-diazahexacyclo[13.11.0.02,7.09,14.016,24.018,23]hexacosa-1(15),2,4,6,9,11,13,16(24),18,20,22,25-dodecaene?

8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-phenyl-8,17-diazahexacyclo[13.11.0.02,7.09,14.016,24.018,23]hexacosa-1(15),2,4,6,9,11,13,16(24),18,20,22,25-dodecaene has a molecular weight of 715.86 g/mol, XLogP of 13.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-17-phenyl-8,17-diazahexacyclo[13.11.0.02,7.09,14.016,24.018,23]hexacosa-1(15),2,4,6,9,11,13,16(24),18,20,22,25-dodecaene is sourced from PubChem (CID 118363438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).