4-(2,6-diphenylpyrimidin-4-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-(4,6-diphenylpyrimidin-2-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-naphthalen-2-yl-26-(4-phenylquinazolin-2-yl)-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene

C197H117N17S4 — CID 162026045

About 4-(2,6-diphenylpyrimidin-4-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-(4,6-diphenylpyrimidin-2-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-naphthalen-2-yl-26-(4-phenylquinazolin-2-yl)-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene

4-(2,6-diphenylpyrimidin-4-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-(4,6-diphenylpyrimidin-2-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-naphthalen-2-yl-26-(4-phenylquinazolin-2-yl)-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene (PubChem CID 162026045) has the molecular formula C197H117N17S4 and a molecular weight of 2850.49 g/mol. Its IUPAC name is 4-(2,6-diphenylpyrimidin-4-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-(4,6-diphenylpyrimidin-2-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-naphthalen-2-yl-26-(4-phenylquinazolin-2-yl)-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene.

Molecular Properties

• Compound Name: 4-(2,6-diphenylpyrimidin-4-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-(4,6-diphenylpyrimidin-2-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-naphthalen-2-yl-26-(4-phenylquinazolin-2-yl)-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
• PubChem CID: 162026045
• Molecular Formula: C197H117N17S4
• Molecular Weight: 2850.49 g/mol
• Exact Mass: 2847.86
• IUPAC Name: 4-(2,6-diphenylpyrimidin-4-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-(4,6-diphenylpyrimidin-2-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-naphthalen-2-yl-26-(4-phenylquinazolin-2-yl)-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5sc6ccc7c8ccccc8n(-c8ccc9ccccc9c8)c7c6c5c43)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5sc6ccc7c8ccccc8n(-c8ccc9ccccc9c8)c7c6c5c43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5sc6ccc7c8ccccc8n(-c8ccc9ccccc9c8)c7c6c5c43)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5sc6ccc7c8ccccc8n(-c8ccc9ccccc9c8)c7c6c5c43)nc3ccccc23)cc1
• InChI: InChI=1S/2C50H30N4S.C49H29N5S.C48H28N4S/c1-3-14-32(15-4-1)40-30-41(33-16-5-2-6-17-33)52-50(51-40)54-43-22-12-10-20-37(43)39-26-28-45-47(49(39)54)46-44(55-45)27-25-38-36-19-9-11-21-42(36)53(48(38)46)35-24-23-31-13-7-8-18-34(31)29-35;1-3-14-32(15-4-1)40-30-45(52-50(51-40)33-16-5-2-6-17-33)54-42-22-12-10-20-37(42)39-26-28-44-47(49(39)54)46-43(55-44)27-25-38-36-19-9-11-21-41(36)53(48(38)46)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)54-40-22-12-10-20-36(40)38-26-28-42-44(46(38)54)43-41(55-42)27-25-37-35-19-9-11-21-39(35)53(45(37)43)34-24-23-30-13-7-8-18-33(30)29-34;1-2-13-30(14-3-1)45-37-18-6-9-19-38(37)49-48(50-45)52-40-21-11-8-17-34(40)36-25-27-42-44(47(36)52)43-41(53-42)26-24-35-33-16-7-10-20-39(33)51(46(35)43)32-23-22-29-12-4-5-15-31(29)28-32/h2*1-30H;1-29H;1-28H
• InChIKey: YVJPVHUOPYIHQD-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 4-(2,6-diphenylpyrimidin-4-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-(4,6-diphenylpyrimidin-2-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-naphthalen-2-yl-26-(4-phenylquinazolin-2-yl)-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene?

The IUPAC name of 4-(2,6-diphenylpyrimidin-4-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-(4,6-diphenylpyrimidin-2-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-naphthalen-2-yl-26-(4-phenylquinazolin-2-yl)-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene (CID 162026045) is 4-(2,6-diphenylpyrimidin-4-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-(4,6-diphenylpyrimidin-2-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-naphthalen-2-yl-26-(4-phenylquinazolin-2-yl)-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene.

What is the SMILES notation for 4-(2,6-diphenylpyrimidin-4-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-(4,6-diphenylpyrimidin-2-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-naphthalen-2-yl-26-(4-phenylquinazolin-2-yl)-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene?

The canonical SMILES for 4-(2,6-diphenylpyrimidin-4-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-(4,6-diphenylpyrimidin-2-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-naphthalen-2-yl-26-(4-phenylquinazolin-2-yl)-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5sc6ccc7c8ccccc8n(-c8ccc9ccccc9c8)c7c6c5c43)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5sc6ccc7c8ccccc8n(-c8ccc9ccccc9c8)c7c6c5c43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5sc6ccc7c8ccccc8n(-c8ccc9ccccc9c8)c7c6c5c43)n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4ccc5sc6ccc7c8ccccc8n(-c8ccc9ccccc9c8)c7c6c5c43)nc3ccccc23)cc1.

What is the InChIKey of 4-(2,6-diphenylpyrimidin-4-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-(4,6-diphenylpyrimidin-2-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-naphthalen-2-yl-26-(4-phenylquinazolin-2-yl)-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene?

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

What are the key properties of 4-(2,6-diphenylpyrimidin-4-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-(4,6-diphenylpyrimidin-2-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-naphthalen-2-yl-26-(4-phenylquinazolin-2-yl)-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene?

4-(2,6-diphenylpyrimidin-4-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-(4,6-diphenylpyrimidin-2-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-naphthalen-2-yl-26-(4-phenylquinazolin-2-yl)-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(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 4-(2,6-diphenylpyrimidin-4-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-(4,6-diphenylpyrimidin-2-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-naphthalen-2-yl-26-(4-phenylquinazolin-2-yl)-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene is sourced from PubChem (CID 162026045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).