16-[3-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-12-naphthalen-2-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-[3-(4,6-diphenylpyrimidin-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;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene

C165H103N13 — CID 161164703

About 16-[3-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-12-naphthalen-2-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-[3-(4,6-diphenylpyrimidin-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;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene

16-[3-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-12-naphthalen-2-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-[3-(4,6-diphenylpyrimidin-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;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene (PubChem CID 161164703) has the molecular formula C165H103N13 and a molecular weight of 2267.73 g/mol. Its IUPAC name is 16-[3-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-12-naphthalen-2-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-[3-(4,6-diphenylpyrimidin-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;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene.

Molecular Properties

• Compound Name: 16-[3-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-12-naphthalen-2-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-[3-(4,6-diphenylpyrimidin-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;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
• PubChem CID: 161164703
• Molecular Formula: C165H103N13
• Molecular Weight: 2267.73 g/mol
• Exact Mass: 2265.85
• IUPAC Name: 16-[3-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-12-naphthalen-2-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-[3-(4,6-diphenylpyrimidin-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;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5cc6c7c8ccccc8ccc7n(-c7ccc8ccccc8c7)c6cc54)c4ccccc4c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5cc6c7c8ccccc8ccc7n(-c7ccccc7)c6cc54)c4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5c6c7c8ccccc8ccc7n(-c7ccccc7)c6ccc54)cc4ccccc34)n2)cc1
• InChI: InChI=1S/C58H36N4.C54H34N4.C53H33N5/c1-3-17-39(18-4-1)50-35-51(40-19-5-2-6-20-40)60-58(59-50)43-31-42-22-10-11-23-45(42)54(33-43)62-52-26-14-13-25-47(52)48-34-49-56(36-55(48)62)61(44-29-27-37-15-7-8-21-41(37)32-44)53-30-28-38-16-9-12-24-46(38)57(49)53;1-4-17-36(18-5-1)46-33-47(37-19-6-2-7-20-37)56-54(55-46)39-30-38-21-11-12-24-41(38)50(31-39)58-48-27-15-14-26-43(48)44-32-45-52(34-51(44)58)57(40-22-8-3-9-23-40)49-29-28-35-16-10-13-25-42(35)53(45)49;1-4-17-35(18-5-1)51-54-52(36-19-6-2-7-20-36)56-53(55-51)43-33-39(32-37-21-11-12-24-40(37)43)58-44-27-15-14-26-42(44)49-46(58)30-31-47-50(49)48-41-25-13-10-16-34(41)28-29-45(48)57(47)38-22-8-3-9-23-38/h1-36H;1-34H;1-33H
• InChIKey: UQJJOOHQOCQRJL-UHFFFAOYSA-N
• XLogP: 42.48
• TPSA: 119.81 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2267.73
LogP ≤ 5	42.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 16-[3-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-12-naphthalen-2-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-[3-(4,6-diphenylpyrimidin-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;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?

The IUPAC name of 16-[3-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-12-naphthalen-2-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-[3-(4,6-diphenylpyrimidin-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;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene (CID 161164703) is 16-[3-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-12-naphthalen-2-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-[3-(4,6-diphenylpyrimidin-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;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene.

What is the SMILES notation for 16-[3-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-12-naphthalen-2-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-[3-(4,6-diphenylpyrimidin-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;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?

The canonical SMILES for 16-[3-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-12-naphthalen-2-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-[3-(4,6-diphenylpyrimidin-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;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene is c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5cc6c7c8ccccc8ccc7n(-c7ccc8ccccc8c7)c6cc54)c4ccccc4c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5cc6c7c8ccccc8ccc7n(-c7ccccc7)c6cc54)c4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5c6c7c8ccccc8ccc7n(-c7ccccc7)c6ccc54)cc4ccccc34)n2)cc1.

What is the InChIKey of 16-[3-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-12-naphthalen-2-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-[3-(4,6-diphenylpyrimidin-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;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?

The InChIKey is UQJJOOHQOCQRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4.C54H34N4.C53H33N5/c1-3-17-39(18-4-1)50-35-51(40-19-5-2-6-20-40)60-58(59-50)43-31-42-22-10-11-23-45(42)54(33-43)62-52-26-14-13-25-47(52)48-34-49-56(36-55(48)62)61(44-29-27-37-15-7-8-21-41(37)32-44)53-30-28-38-16-9-12-24-46(38)57(49)53;1-4-17-36(18-5-1)46-33-47(37-19-6-2-7-20-37)56-54(55-46)39-30-38-21-11-12-24-41(38)50(31-39)58-48-27-15-14-26-43(48)44-32-45-52(34-51(44)58)57(40-22-8-3-9-23-40)49-29-28-35-16-10-13-25-42(35)53(45)49;1-4-17-35(18-5-1)51-54-52(36-19-6-2-7-20-36)56-53(55-51)43-33-39(32-37-21-11-12-24-40(37)43)58-44-27-15-14-26-42(44)49-46(58)30-31-47-50(49)48-41-25-13-10-16-34(41)28-29-45(48)57(47)38-22-8-3-9-23-38/h1-36H;1-34H;1-33H.

What are the key properties of 16-[3-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-12-naphthalen-2-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-[3-(4,6-diphenylpyrimidin-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;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?

16-[3-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-12-naphthalen-2-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-[3-(4,6-diphenylpyrimidin-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;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene has a molecular weight of 2267.73 g/mol, XLogP of 42.48, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 16-[3-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-12-naphthalen-2-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-[3-(4,6-diphenylpyrimidin-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;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-14-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene is sourced from PubChem (CID 161164703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).