25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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

C57H36N4O — CID 129142369

About 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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 129142369) has the molecular formula C57H36N4O and a molecular weight of 792.94 g/mol. Its IUPAC name is 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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: 129142369
• Molecular Formula: C57H36N4O
• Molecular Weight: 792.94 g/mol
• Exact Mass: 792.29
• IUPAC Name: 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3c2)cc1
• InChI: InChI=1S/C57H36N4O/c1-4-16-37(17-5-1)41-30-35-52-48(36-41)46-33-34-50-54(53(46)45-24-11-10-22-43(45)44-23-13-15-27-51(44)62-52)47-25-12-14-26-49(47)61(50)42-31-28-40(29-32-42)57-59-55(38-18-6-2-7-19-38)58-56(60-57)39-20-8-3-9-21-39/h1-36H
• InChIKey: MSBGDKXCQCBANT-UHFFFAOYSA-N
• XLogP: 14.97
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	792.94
LogP ≤ 5	14.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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 129142369) is 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3c2)cc1.

What is the InChIKey of 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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 MSBGDKXCQCBANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4O/c1-4-16-37(17-5-1)41-30-35-52-48(36-41)46-33-34-50-54(53(46)45-24-11-10-22-43(45)44-23-13-15-27-51(44)62-52)47-25-12-14-26-49(47)61(50)42-31-28-40(29-32-42)57-59-55(38-18-6-2-7-19-38)58-56(60-57)39-20-8-3-9-21-39/h1-36H.

What are the key properties of 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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 792.94 g/mol, XLogP of 14.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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 129142369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).