16-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-4,12-diphenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

C175H109N15 — CID 161392177

About 16-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-4,12-diphenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene

16-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-4,12-diphenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (PubChem CID 161392177) has the molecular formula C175H109N15 and a molecular weight of 2421.90 g/mol. Its IUPAC name is 16-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-4,12-diphenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.

Molecular Properties

• Compound Name: 16-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-4,12-diphenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
• PubChem CID: 161392177
• Molecular Formula: C175H109N15
• Molecular Weight: 2421.90 g/mol
• Exact Mass: 2419.90
• IUPAC Name: 16-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-4,12-diphenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5cc(-n6c7ccccc7c7cc8c9ccc%10ccccc%10c9n(-c9ccccc9)c8cc76)ccc45)n3)c2)cc1.c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4cc(-n5c6ccccc6c6cc7c8ccc9ccccc9c8n(-c8ccccc8)c7cc65)ccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4cc(-n5c6ccccc6c6cc7c8cc(-c9ccccc9)c9ccccc9c8n(-c8ccccc8)c7cc65)ccc34)n2)cc1
• InChI: InChI=1S/2C59H37N5.C57H35N5/c1-5-18-38(19-6-1)49-35-52-51-36-50-46-28-15-16-31-53(46)63(54(50)37-55(51)64(42-25-11-4-12-26-42)56(52)47-29-14-13-27-45(47)49)43-32-33-44-41(34-43)24-17-30-48(44)59-61-57(39-20-7-2-8-21-39)60-58(62-59)40-22-9-3-10-23-40;1-4-16-38(17-5-1)41-21-14-23-43(34-41)58-60-57(40-19-6-2-7-20-40)61-59(62-58)50-28-15-22-42-35-45(31-33-46(42)50)63-53-29-13-12-27-48(53)51-36-52-49-32-30-39-18-10-11-26-47(39)56(49)64(55(52)37-54(51)63)44-24-8-3-9-25-44;1-3-17-38(18-4-1)55-58-56(47-26-13-19-36-15-7-9-23-42(36)47)60-57(59-55)48-27-14-20-39-33-41(30-32-43(39)48)61-51-28-12-11-25-45(51)49-34-50-46-31-29-37-16-8-10-24-44(37)54(46)62(53(50)35-52(49)61)40-21-5-2-6-22-40/h2*1-37H;1-35H
• InChIKey: VTDAIINPLJVXPC-UHFFFAOYSA-N
• XLogP: 44.61
• TPSA: 145.59 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2421.90
LogP ≤ 5	44.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 16-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-4,12-diphenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

The IUPAC name of 16-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-4,12-diphenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene (CID 161392177) is 16-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-4,12-diphenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene.

What is the SMILES notation for 16-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-4,12-diphenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

The canonical SMILES for 16-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-4,12-diphenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5cc(-n6c7ccccc7c7cc8c9ccc%10ccccc%10c9n(-c9ccccc9)c8cc76)ccc45)n3)c2)cc1.c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4cc(-n5c6ccccc6c6cc7c8ccc9ccccc9c8n(-c8ccccc8)c7cc65)ccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4cc(-n5c6ccccc6c6cc7c8cc(-c9ccccc9)c9ccccc9c8n(-c8ccccc8)c7cc65)ccc34)n2)cc1.

What is the InChIKey of 16-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-4,12-diphenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

The InChIKey is VTDAIINPLJVXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C59H37N5.C57H35N5/c1-5-18-38(19-6-1)49-35-52-51-36-50-46-28-15-16-31-53(46)63(54(50)37-55(51)64(42-25-11-4-12-26-42)56(52)47-29-14-13-27-45(47)49)43-32-33-44-41(34-43)24-17-30-48(44)59-61-57(39-20-7-2-8-21-39)60-58(62-59)40-22-9-3-10-23-40;1-4-16-38(17-5-1)41-21-14-23-43(34-41)58-60-57(40-19-6-2-7-20-40)61-59(62-58)50-28-15-22-42-35-45(31-33-46(42)50)63-53-29-13-12-27-48(53)51-36-52-49-32-30-39-18-10-11-26-47(39)56(49)64(55(52)37-54(51)63)44-24-8-3-9-25-44;1-3-17-38(18-4-1)55-58-56(47-26-13-19-36-15-7-9-23-42(36)47)60-57(59-55)48-27-14-20-39-33-41(30-32-43(39)48)61-51-28-12-11-25-45(51)49-34-50-46-31-29-37-16-8-10-24-44(37)54(46)62(53(50)35-52(49)61)40-21-5-2-6-22-40/h2*1-37H;1-35H.

What are the key properties of 16-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-4,12-diphenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene?

16-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-4,12-diphenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene has a molecular weight of 2421.90 g/mol, XLogP of 44.61, 17 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 16-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-4,12-diphenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene is sourced from PubChem (CID 161392177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).