16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-1-yl-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-1-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-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-phenyl-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

C173H107N15 — CID 159700434

About 16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-1-yl-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-1-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-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-phenyl-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-1-yl]-12-naphthalen-1-yl-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-1-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-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-phenyl-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 159700434) has the molecular formula C173H107N15 and a molecular weight of 2395.86 g/mol. Its IUPAC name is 16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-1-yl-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-1-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-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-phenyl-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-1-yl]-12-naphthalen-1-yl-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-1-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-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-phenyl-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: 159700434
• Molecular Formula: C173H107N15
• Molecular Weight: 2395.86 g/mol
• Exact Mass: 2393.88
• IUPAC Name: 16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-1-yl-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-1-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-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-phenyl-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-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)cc2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc(-n4c5ccccc5c5cc6c7c8ccccc8ccc7n(-c7ccccc7)c6cc54)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c7c8ccccc8ccc7n(-c7cccc8ccccc78)c6cc54)c4ccccc34)n2)cc1
• InChI: InChI=1S/C59H37N5.2C57H35N5/c1-4-16-38(17-5-1)39-28-31-43(32-29-39)63-53-34-30-40-18-10-11-23-44(40)56(53)50-36-49-47-26-14-15-27-51(47)64(54(49)37-55(50)63)52-35-33-48(45-24-12-13-25-46(45)52)59-61-57(41-19-6-2-7-20-41)60-58(62-59)42-21-8-3-9-22-42;1-3-18-38(19-4-1)55-58-56(39-20-5-2-6-21-39)60-57(59-55)45-31-33-50(43-26-12-11-25-42(43)45)61-49-28-14-13-27-44(49)46-34-47-53(35-52(46)61)62(48-29-15-22-36-16-7-9-23-40(36)48)51-32-30-37-17-8-10-24-41(37)54(47)51;1-3-17-38(18-4-1)55-58-56(40-28-27-36-15-7-8-19-39(36)33-40)60-57(59-55)46-30-32-50(44-24-12-11-23-43(44)46)62-49-26-14-13-25-45(49)47-34-48-53(35-52(47)62)61(41-20-5-2-6-21-41)51-31-29-37-16-9-10-22-42(37)54(48)51/h1-37H;2*1-35H
• InChIKey: MXNXZGCEUVHBEK-UHFFFAOYSA-N
• XLogP: 44.09
• TPSA: 145.59 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2395.86
LogP ≤ 5	44.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-1-yl-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-1-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-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-phenyl-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-1-yl]-12-naphthalen-1-yl-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-1-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-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-phenyl-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 159700434) is 16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-1-yl-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-1-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-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-phenyl-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-1-yl]-12-naphthalen-1-yl-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-1-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-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-phenyl-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-1-yl]-12-naphthalen-1-yl-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-1-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-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-phenyl-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-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)cc2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc(-n4c5ccccc5c5cc6c7c8ccccc8ccc7n(-c7ccccc7)c6cc54)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c7c8ccccc8ccc7n(-c7cccc8ccccc78)c6cc54)c4ccccc34)n2)cc1.

What is the InChIKey of 16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-1-yl-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-1-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-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-phenyl-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 MXNXZGCEUVHBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N5.2C57H35N5/c1-4-16-38(17-5-1)39-28-31-43(32-29-39)63-53-34-30-40-18-10-11-23-44(40)56(53)50-36-49-47-26-14-15-27-51(47)64(54(49)37-55(50)63)52-35-33-48(45-24-12-13-25-46(45)52)59-61-57(41-19-6-2-7-20-41)60-58(62-59)42-21-8-3-9-22-42;1-3-18-38(19-4-1)55-58-56(39-20-5-2-6-21-39)60-57(59-55)45-31-33-50(43-26-12-11-25-42(43)45)61-49-28-14-13-27-44(49)46-34-47-53(35-52(46)61)62(48-29-15-22-36-16-7-9-23-40(36)48)51-32-30-37-17-8-10-24-41(37)54(47)51;1-3-17-38(18-4-1)55-58-56(40-28-27-36-15-7-8-19-39(36)33-40)60-57(59-55)46-30-32-50(44-24-12-11-23-43(44)46)62-49-26-14-13-25-45(49)47-34-48-53(35-52(47)62)61(41-20-5-2-6-21-41)51-31-29-37-16-9-10-22-42(37)54(48)51/h1-37H;2*1-35H.

What are the key properties of 16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-1-yl-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-1-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-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-phenyl-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-1-yl]-12-naphthalen-1-yl-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-1-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-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-phenyl-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 2395.86 g/mol, XLogP of 44.09, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-1-yl-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-1-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-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-phenyl-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 159700434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).