10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-14,19-diphenyl-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene

C59H38N6 — CID 90267450

About 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-14,19-diphenyl-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene

10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-14,19-diphenyl-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene (PubChem CID 90267450) has the molecular formula C59H38N6 and a molecular weight of 831.00 g/mol. Its IUPAC name is 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-14,19-diphenyl-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene.

Molecular Properties

• Compound Name: 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-14,19-diphenyl-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene
• PubChem CID: 90267450
• Molecular Formula: C59H38N6
• Molecular Weight: 831.00 g/mol
• Exact Mass: 830.32
• IUPAC Name: 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-14,19-diphenyl-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene
• SMILES: c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4cc5c6ccc7c(ccn7-c7ccccc7)c6n(-c6ccccc6)c5cc43)c2)cc1
• InChI: InChI=1S/C59H38N6/c1-6-18-39(19-7-1)42-34-43(59-61-57(40-20-8-2-9-21-40)60-58(62-59)41-22-10-3-11-23-41)36-46(35-42)64-53-29-17-16-28-47(53)50-37-51-48-30-31-52-49(32-33-63(52)44-24-12-4-13-25-44)56(48)65(55(51)38-54(50)64)45-26-14-5-15-27-45/h1-38H
• InChIKey: NXBIOPQFTYAQAV-UHFFFAOYSA-N
• XLogP: 14.68
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	831.00
LogP ≤ 5	14.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-14,19-diphenyl-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene?

The IUPAC name of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-14,19-diphenyl-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene (CID 90267450) is 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-14,19-diphenyl-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene.

What is the SMILES notation for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-14,19-diphenyl-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene?

The canonical SMILES for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-14,19-diphenyl-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene is c1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4cc5c6ccc7c(ccn7-c7ccccc7)c6n(-c6ccccc6)c5cc43)c2)cc1.

What is the InChIKey of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-14,19-diphenyl-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene?

The InChIKey is NXBIOPQFTYAQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N6/c1-6-18-39(19-7-1)42-34-43(59-61-57(40-20-8-2-9-21-40)60-58(62-59)41-22-10-3-11-23-41)36-46(35-42)64-53-29-17-16-28-47(53)50-37-51-48-30-31-52-49(32-33-63(52)44-24-12-4-13-25-44)56(48)65(55(51)38-54(50)64)45-26-14-5-15-27-45/h1-38H.

What are the key properties of 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-14,19-diphenyl-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene?

10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-14,19-diphenyl-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene has a molecular weight of 831.00 g/mol, XLogP of 14.68, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-14,19-diphenyl-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene is sourced from PubChem (CID 90267450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).