25-(4,6-diphenylpyrimidin-2-yl)-18-phenyl-14-oxa-25-azaheptacyclo[19.11.0.02,7.08,13.015,20.024,32.026,31]dotriaconta-1(21),2,4,6,8,10,12,15(20),16,18,22,24(32),26,28,30-pentadecaene

C52H33N3O — CID 129142368

About 25-(4,6-diphenylpyrimidin-2-yl)-18-phenyl-14-oxa-25-azaheptacyclo[19.11.0.02,7.08,13.015,20.024,32.026,31]dotriaconta-1(21),2,4,6,8,10,12,15(20),16,18,22,24(32),26,28,30-pentadecaene

25-(4,6-diphenylpyrimidin-2-yl)-18-phenyl-14-oxa-25-azaheptacyclo[19.11.0.02,7.08,13.015,20.024,32.026,31]dotriaconta-1(21),2,4,6,8,10,12,15(20),16,18,22,24(32),26,28,30-pentadecaene (PubChem CID 129142368) has the molecular formula C52H33N3O and a molecular weight of 715.86 g/mol. Its IUPAC name is 25-(4,6-diphenylpyrimidin-2-yl)-18-phenyl-14-oxa-25-azaheptacyclo[19.11.0.02,7.08,13.015,20.024,32.026,31]dotriaconta-1(21),2,4,6,8,10,12,15(20),16,18,22,24(32),26,28,30-pentadecaene.

Molecular Properties

• Compound Name: 25-(4,6-diphenylpyrimidin-2-yl)-18-phenyl-14-oxa-25-azaheptacyclo[19.11.0.02,7.08,13.015,20.024,32.026,31]dotriaconta-1(21),2,4,6,8,10,12,15(20),16,18,22,24(32),26,28,30-pentadecaene
• PubChem CID: 129142368
• Molecular Formula: C52H33N3O
• Molecular Weight: 715.86 g/mol
• Exact Mass: 715.26
• IUPAC Name: 25-(4,6-diphenylpyrimidin-2-yl)-18-phenyl-14-oxa-25-azaheptacyclo[19.11.0.02,7.08,13.015,20.024,32.026,31]dotriaconta-1(21),2,4,6,8,10,12,15(20),16,18,22,24(32),26,28,30-pentadecaene
• SMILES: c1ccc(-c2ccc3oc4ccccc4c4ccccc4c4c(ccc5c4c4ccccc4n5-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c2)cc1
• InChI: InChI=1S/C52H33N3O/c1-4-16-34(17-5-1)37-28-31-49-43(32-37)41-29-30-47-51(50(41)40-24-11-10-22-38(40)39-23-13-15-27-48(39)56-49)42-25-12-14-26-46(42)55(47)52-53-44(35-18-6-2-7-19-35)33-45(54-52)36-20-8-3-9-21-36/h1-33H
• InChIKey: KQRWODYOVCPNHV-UHFFFAOYSA-N
• XLogP: 13.90
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.86
LogP ≤ 5	13.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 25-(4,6-diphenylpyrimidin-2-yl)-18-phenyl-14-oxa-25-azaheptacyclo[19.11.0.02,7.08,13.015,20.024,32.026,31]dotriaconta-1(21),2,4,6,8,10,12,15(20),16,18,22,24(32),26,28,30-pentadecaene?

The IUPAC name of 25-(4,6-diphenylpyrimidin-2-yl)-18-phenyl-14-oxa-25-azaheptacyclo[19.11.0.02,7.08,13.015,20.024,32.026,31]dotriaconta-1(21),2,4,6,8,10,12,15(20),16,18,22,24(32),26,28,30-pentadecaene (CID 129142368) is 25-(4,6-diphenylpyrimidin-2-yl)-18-phenyl-14-oxa-25-azaheptacyclo[19.11.0.02,7.08,13.015,20.024,32.026,31]dotriaconta-1(21),2,4,6,8,10,12,15(20),16,18,22,24(32),26,28,30-pentadecaene.

What is the SMILES notation for 25-(4,6-diphenylpyrimidin-2-yl)-18-phenyl-14-oxa-25-azaheptacyclo[19.11.0.02,7.08,13.015,20.024,32.026,31]dotriaconta-1(21),2,4,6,8,10,12,15(20),16,18,22,24(32),26,28,30-pentadecaene?

The canonical SMILES for 25-(4,6-diphenylpyrimidin-2-yl)-18-phenyl-14-oxa-25-azaheptacyclo[19.11.0.02,7.08,13.015,20.024,32.026,31]dotriaconta-1(21),2,4,6,8,10,12,15(20),16,18,22,24(32),26,28,30-pentadecaene is c1ccc(-c2ccc3oc4ccccc4c4ccccc4c4c(ccc5c4c4ccccc4n5-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c2)cc1.

What is the InChIKey of 25-(4,6-diphenylpyrimidin-2-yl)-18-phenyl-14-oxa-25-azaheptacyclo[19.11.0.02,7.08,13.015,20.024,32.026,31]dotriaconta-1(21),2,4,6,8,10,12,15(20),16,18,22,24(32),26,28,30-pentadecaene?

The InChIKey is KQRWODYOVCPNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3O/c1-4-16-34(17-5-1)37-28-31-49-43(32-37)41-29-30-47-51(50(41)40-24-11-10-22-38(40)39-23-13-15-27-48(39)56-49)42-25-12-14-26-46(42)55(47)52-53-44(35-18-6-2-7-19-35)33-45(54-52)36-20-8-3-9-21-36/h1-33H.

What are the key properties of 25-(4,6-diphenylpyrimidin-2-yl)-18-phenyl-14-oxa-25-azaheptacyclo[19.11.0.02,7.08,13.015,20.024,32.026,31]dotriaconta-1(21),2,4,6,8,10,12,15(20),16,18,22,24(32),26,28,30-pentadecaene?

25-(4,6-diphenylpyrimidin-2-yl)-18-phenyl-14-oxa-25-azaheptacyclo[19.11.0.02,7.08,13.015,20.024,32.026,31]dotriaconta-1(21),2,4,6,8,10,12,15(20),16,18,22,24(32),26,28,30-pentadecaene has a molecular weight of 715.86 g/mol, XLogP of 13.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 25-(4,6-diphenylpyrimidin-2-yl)-18-phenyl-14-oxa-25-azaheptacyclo[19.11.0.02,7.08,13.015,20.024,32.026,31]dotriaconta-1(21),2,4,6,8,10,12,15(20),16,18,22,24(32),26,28,30-pentadecaene is sourced from PubChem (CID 129142368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).