12-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-naphthalen-2-yl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-naphthalen-2-yl-18-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-(2-phenylphenyl)-18-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene

C161H97N15O3 — CID 163656132

About 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-naphthalen-2-yl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-naphthalen-2-yl-18-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-(2-phenylphenyl)-18-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-naphthalen-2-yl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-naphthalen-2-yl-18-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-(2-phenylphenyl)-18-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene (PubChem CID 163656132) has the molecular formula C161H97N15O3 and a molecular weight of 2289.65 g/mol. Its IUPAC name is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-naphthalen-2-yl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-naphthalen-2-yl-18-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-(2-phenylphenyl)-18-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene.

Molecular Properties

• Compound Name: 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-naphthalen-2-yl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-naphthalen-2-yl-18-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-(2-phenylphenyl)-18-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
• PubChem CID: 163656132
• Molecular Formula: C161H97N15O3
• Molecular Weight: 2289.65 g/mol
• Exact Mass: 2287.79
• IUPAC Name: 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-naphthalen-2-yl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-naphthalen-2-yl-18-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-(2-phenylphenyl)-18-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccc8c9ccccc9n(-c9ccc%10ccccc%10c9)c8c7oc6c54)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccc7c8ccccc8n(-c8ccc9ccccc9c8)c7c6oc5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccc7c8ccccc8n(-c8ccccc8-c8ccccc8)c7c6oc5c43)n2)cc1
• InChI: InChI=1S/C57H35N5O.C55H33N5O.C49H29N5O/c1-4-18-36(19-5-1)39-24-10-11-28-47(39)56-58-55(38-22-8-3-9-23-38)59-57(60-56)62-50-31-17-14-27-42(50)44-33-35-46-45-34-32-43-41-26-13-16-30-49(41)61(51(43)53(45)63-54(46)52(44)62)48-29-15-12-25-40(48)37-20-6-2-7-21-37;1-3-13-34(14-4-1)36-23-25-38(26-24-36)54-56-53(37-16-5-2-6-17-37)57-55(58-54)60-48-22-12-10-20-42(48)44-30-32-46-45-31-29-43-41-19-9-11-21-47(41)59(49(43)51(45)61-52(46)50(44)60)40-28-27-35-15-7-8-18-39(35)33-40;1-3-14-31(15-4-1)47-50-48(32-16-5-2-6-17-32)52-49(51-47)54-42-22-12-10-20-36(42)38-26-28-40-39-27-25-37-35-19-9-11-21-41(35)53(43(37)45(39)55-46(40)44(38)54)34-24-23-30-13-7-8-18-33(30)29-34/h1-35H;1-33H;1-29H
• InChIKey: IQJNCHDAVMGHKT-UHFFFAOYSA-N
• XLogP: 41.21
• TPSA: 185.01 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2289.65
LogP ≤ 5	41.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-naphthalen-2-yl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-naphthalen-2-yl-18-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-(2-phenylphenyl)-18-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene?

The IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-naphthalen-2-yl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-naphthalen-2-yl-18-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-(2-phenylphenyl)-18-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene (CID 163656132) is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-naphthalen-2-yl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-naphthalen-2-yl-18-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-(2-phenylphenyl)-18-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene.

What is the SMILES notation for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-naphthalen-2-yl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-naphthalen-2-yl-18-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-(2-phenylphenyl)-18-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene?

The canonical SMILES for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-naphthalen-2-yl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-naphthalen-2-yl-18-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-(2-phenylphenyl)-18-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccc8c9ccccc9n(-c9ccc%10ccccc%10c9)c8c7oc6c54)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccc7c8ccccc8n(-c8ccc9ccccc9c8)c7c6oc5c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccc7c8ccccc8n(-c8ccccc8-c8ccccc8)c7c6oc5c43)n2)cc1.

What is the InChIKey of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-naphthalen-2-yl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-naphthalen-2-yl-18-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-(2-phenylphenyl)-18-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene?

The InChIKey is IQJNCHDAVMGHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5O.C55H33N5O.C49H29N5O/c1-4-18-36(19-5-1)39-24-10-11-28-47(39)56-58-55(38-22-8-3-9-23-38)59-57(60-56)62-50-31-17-14-27-42(50)44-33-35-46-45-34-32-43-41-26-13-16-30-49(41)61(51(43)53(45)63-54(46)52(44)62)48-29-15-12-25-40(48)37-20-6-2-7-21-37;1-3-13-34(14-4-1)36-23-25-38(26-24-36)54-56-53(37-16-5-2-6-17-37)57-55(58-54)60-48-22-12-10-20-42(48)44-30-32-46-45-31-29-43-41-19-9-11-21-47(41)59(49(43)51(45)61-52(46)50(44)60)40-28-27-35-15-7-8-18-39(35)33-40;1-3-14-31(15-4-1)47-50-48(32-16-5-2-6-17-32)52-49(51-47)54-42-22-12-10-20-36(42)38-26-28-40-39-27-25-37-35-19-9-11-21-41(35)53(43(37)45(39)55-46(40)44(38)54)34-24-23-30-13-7-8-18-33(30)29-34/h1-35H;1-33H;1-29H.

What are the key properties of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-naphthalen-2-yl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-naphthalen-2-yl-18-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-(2-phenylphenyl)-18-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene?

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-naphthalen-2-yl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-naphthalen-2-yl-18-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-(2-phenylphenyl)-18-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene has a molecular weight of 2289.65 g/mol, XLogP of 41.21, 15 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-naphthalen-2-yl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-naphthalen-2-yl-18-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;12-(2-phenylphenyl)-18-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene is sourced from PubChem (CID 163656132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).