16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-(4-phenylphenyl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

C59H37N5 — CID 138654261

About 16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-(4-phenylphenyl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-(4-phenylphenyl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (PubChem CID 138654261) has the molecular formula C59H37N5 and a molecular weight of 815.98 g/mol. Its IUPAC name is 16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-(4-phenylphenyl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.

Molecular Properties

• Compound Name: 16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-(4-phenylphenyl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
• PubChem CID: 138654261
• Molecular Formula: C59H37N5
• Molecular Weight: 815.98 g/mol
• Exact Mass: 815.30
• IUPAC Name: 16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-(4-phenylphenyl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
• SMILES: c1ccc(-c2ccc(-n3c4cc5c(cc4c4c6ccccc6ccc43)c3ccccc3n5-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc4c3)cc2)cc1
• InChI: InChI=1S/C59H37N5/c1-4-16-38(17-5-1)39-28-31-44(32-29-39)63-53-33-30-40-18-10-13-25-47(40)56(53)51-36-49-48-26-14-15-27-52(48)64(54(49)37-55(51)63)45-34-43-23-11-12-24-46(43)50(35-45)59-61-57(41-19-6-2-7-20-41)60-58(62-59)42-21-8-3-9-22-42/h1-37H
• InChIKey: VLDIJCDROZIBDS-UHFFFAOYSA-N
• XLogP: 15.04
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	815.98
LogP ≤ 5	15.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-(4-phenylphenyl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

The IUPAC name of 16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-(4-phenylphenyl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (CID 138654261) is 16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-(4-phenylphenyl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.

What is the SMILES notation for 16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-(4-phenylphenyl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

The canonical SMILES for 16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-(4-phenylphenyl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is c1ccc(-c2ccc(-n3c4cc5c(cc4c4c6ccccc6ccc43)c3ccccc3n5-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc4c3)cc2)cc1.

What is the InChIKey of 16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-(4-phenylphenyl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

The InChIKey is VLDIJCDROZIBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N5/c1-4-16-38(17-5-1)39-28-31-44(32-29-39)63-53-33-30-40-18-10-13-25-47(40)56(53)51-36-49-48-26-14-15-27-52(48)64(54(49)37-55(51)63)45-34-43-23-11-12-24-46(43)50(35-45)59-61-57(41-19-6-2-7-20-41)60-58(62-59)42-21-8-3-9-22-42/h1-37H.

What are the key properties of 16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-(4-phenylphenyl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-(4-phenylphenyl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene has a molecular weight of 815.98 g/mol, XLogP of 15.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-(4-phenylphenyl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is sourced from PubChem (CID 138654261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).