26-(2,6-diphenylpyrimidin-4-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;26-(4,6-diphenylpyrimidin-2-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;10-naphthalen-1-yl-26-(4-phenylquinazolin-2-yl)-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene

C197H117N17S4 — CID 161223291

About 26-(2,6-diphenylpyrimidin-4-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;26-(4,6-diphenylpyrimidin-2-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;10-naphthalen-1-yl-26-(4-phenylquinazolin-2-yl)-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene

26-(2,6-diphenylpyrimidin-4-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;26-(4,6-diphenylpyrimidin-2-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;10-naphthalen-1-yl-26-(4-phenylquinazolin-2-yl)-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene (PubChem CID 161223291) has the molecular formula C197H117N17S4 and a molecular weight of 2850.49 g/mol. Its IUPAC name is 26-(2,6-diphenylpyrimidin-4-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;26-(4,6-diphenylpyrimidin-2-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;10-naphthalen-1-yl-26-(4-phenylquinazolin-2-yl)-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene.

Molecular Properties

• Compound Name: 26-(2,6-diphenylpyrimidin-4-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;26-(4,6-diphenylpyrimidin-2-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;10-naphthalen-1-yl-26-(4-phenylquinazolin-2-yl)-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene
• PubChem CID: 161223291
• Molecular Formula: C197H117N17S4
• Molecular Weight: 2850.49 g/mol
• Exact Mass: 2847.86
• IUPAC Name: 26-(2,6-diphenylpyrimidin-4-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;26-(4,6-diphenylpyrimidin-2-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;10-naphthalen-1-yl-26-(4-phenylquinazolin-2-yl)-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5sc6ccc7c(c8ccccc8n7-c7ccc8ccccc8c7)c6c5c43)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5sc6ccc7c(c8ccccc8n7-c7ccc8ccccc8c7)c6c5c43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5sc6ccc7c(c8ccccc8n7-c7ccc8ccccc8c7)c6c5c43)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5sc6ccc7c(c8ccccc8n7-c7cccc8ccccc78)c6c5c43)nc3ccccc23)cc1
• InChI: InChI=1S/2C50H30N4S.C49H29N5S.C48H28N4S/c1-3-14-32(15-4-1)39-30-40(33-16-5-2-6-17-33)52-50(51-39)54-41-21-11-9-19-36(41)37-25-27-45-48(49(37)54)47-44(55-45)28-26-43-46(47)38-20-10-12-22-42(38)53(43)35-24-23-31-13-7-8-18-34(31)29-35;1-3-14-32(15-4-1)39-30-45(52-50(51-39)33-16-5-2-6-17-33)54-40-21-11-9-19-36(40)37-25-27-44-48(49(37)54)47-43(55-44)28-26-42-46(47)38-20-10-12-22-41(38)53(42)35-24-23-31-13-7-8-18-34(31)29-35;1-3-14-31(15-4-1)47-50-48(32-16-5-2-6-17-32)52-49(51-47)54-38-21-11-9-19-35(38)36-25-27-42-45(46(36)54)44-41(55-42)28-26-40-43(44)37-20-10-12-22-39(37)53(40)34-24-23-30-13-7-8-18-33(30)29-34;1-2-14-30(15-3-1)46-34-19-6-9-21-36(34)49-48(50-46)52-38-22-10-7-18-32(38)33-25-27-42-45(47(33)52)44-41(53-42)28-26-40-43(44)35-20-8-11-23-39(35)51(40)37-24-12-16-29-13-4-5-17-31(29)37/h2*1-30H;1-29H;1-28H
• InChIKey: UXUIONQJEPYEMV-UHFFFAOYSA-N
• XLogP: 52.98
• TPSA: 155.45 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2850.49
LogP ≤ 5	52.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 26-(2,6-diphenylpyrimidin-4-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;26-(4,6-diphenylpyrimidin-2-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;10-naphthalen-1-yl-26-(4-phenylquinazolin-2-yl)-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene?

The IUPAC name of 26-(2,6-diphenylpyrimidin-4-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;26-(4,6-diphenylpyrimidin-2-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;10-naphthalen-1-yl-26-(4-phenylquinazolin-2-yl)-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene (CID 161223291) is 26-(2,6-diphenylpyrimidin-4-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;26-(4,6-diphenylpyrimidin-2-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;10-naphthalen-1-yl-26-(4-phenylquinazolin-2-yl)-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene.

What is the SMILES notation for 26-(2,6-diphenylpyrimidin-4-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;26-(4,6-diphenylpyrimidin-2-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;10-naphthalen-1-yl-26-(4-phenylquinazolin-2-yl)-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene?

The canonical SMILES for 26-(2,6-diphenylpyrimidin-4-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;26-(4,6-diphenylpyrimidin-2-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;10-naphthalen-1-yl-26-(4-phenylquinazolin-2-yl)-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5sc6ccc7c(c8ccccc8n7-c7ccc8ccccc8c7)c6c5c43)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5sc6ccc7c(c8ccccc8n7-c7ccc8ccccc8c7)c6c5c43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5sc6ccc7c(c8ccccc8n7-c7ccc8ccccc8c7)c6c5c43)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5sc6ccc7c(c8ccccc8n7-c7cccc8ccccc78)c6c5c43)nc3ccccc23)cc1.

What is the InChIKey of 26-(2,6-diphenylpyrimidin-4-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;26-(4,6-diphenylpyrimidin-2-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;10-naphthalen-1-yl-26-(4-phenylquinazolin-2-yl)-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene?

The InChIKey is UXUIONQJEPYEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H30N4S.C49H29N5S.C48H28N4S/c1-3-14-32(15-4-1)39-30-40(33-16-5-2-6-17-33)52-50(51-39)54-41-21-11-9-19-36(41)37-25-27-45-48(49(37)54)47-44(55-45)28-26-43-46(47)38-20-10-12-22-42(38)53(43)35-24-23-31-13-7-8-18-34(31)29-35;1-3-14-32(15-4-1)39-30-45(52-50(51-39)33-16-5-2-6-17-33)54-40-21-11-9-19-36(40)37-25-27-44-48(49(37)54)47-43(55-44)28-26-42-46(47)38-20-10-12-22-41(38)53(42)35-24-23-31-13-7-8-18-34(31)29-35;1-3-14-31(15-4-1)47-50-48(32-16-5-2-6-17-32)52-49(51-47)54-38-21-11-9-19-35(38)36-25-27-42-45(46(36)54)44-41(55-42)28-26-40-43(44)37-20-10-12-22-39(37)53(40)34-24-23-30-13-7-8-18-33(30)29-34;1-2-14-30(15-3-1)46-34-19-6-9-21-36(34)49-48(50-46)52-38-22-10-7-18-32(38)33-25-27-42-45(47(33)52)44-41(53-42)28-26-40-43(44)35-20-8-11-23-39(35)51(40)37-24-12-16-29-13-4-5-17-31(29)37/h2*1-30H;1-29H;1-28H.

What are the key properties of 26-(2,6-diphenylpyrimidin-4-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;26-(4,6-diphenylpyrimidin-2-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;10-naphthalen-1-yl-26-(4-phenylquinazolin-2-yl)-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene?

26-(2,6-diphenylpyrimidin-4-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;26-(4,6-diphenylpyrimidin-2-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;10-naphthalen-1-yl-26-(4-phenylquinazolin-2-yl)-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene has a molecular weight of 2850.49 g/mol, XLogP of 52.98, 15 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 26-(2,6-diphenylpyrimidin-4-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;26-(4,6-diphenylpyrimidin-2-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-naphthalen-2-yl-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene;10-naphthalen-1-yl-26-(4-phenylquinazolin-2-yl)-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene is sourced from PubChem (CID 161223291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).