10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene

C45H27N5 — CID 163893675

About 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene

10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene (PubChem CID 163893675) has the molecular formula C45H27N5 and a molecular weight of 637.75 g/mol. Its IUPAC name is 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene.

Molecular Properties

• Compound Name: 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene
• PubChem CID: 163893675
• Molecular Formula: C45H27N5
• Molecular Weight: 637.75 g/mol
• Exact Mass: 637.23
• IUPAC Name: 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c6c(c7ccccc7n6-c6ccccc6-c6ccccc6-5)c43)n2)cc1
• InChI: InChI=1S/C45H27N5/c1-3-15-28(16-4-1)43-46-44(29-17-5-2-6-18-29)48-45(47-43)50-38-25-13-10-22-33(38)36-27-35-31-20-8-7-19-30(31)32-21-9-12-24-37(32)49-39-26-14-11-23-34(39)40(41(35)49)42(36)50/h1-27H
• InChIKey: QDSVKUPXGAFBCQ-UHFFFAOYSA-N
• XLogP: 11.05
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.75
LogP ≤ 5	11.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene?

The IUPAC name of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene (CID 163893675) is 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene.

What is the SMILES notation for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene?

The canonical SMILES for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c6c(c7ccccc7n6-c6ccccc6-c6ccccc6-5)c43)n2)cc1.

What is the InChIKey of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene?

The InChIKey is QDSVKUPXGAFBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N5/c1-3-15-28(16-4-1)43-46-44(29-17-5-2-6-18-29)48-45(47-43)50-38-25-13-10-22-33(38)36-27-35-31-20-8-7-19-30(31)32-21-9-12-24-37(32)49-39-26-14-11-23-34(39)40(41(35)49)42(36)50/h1-27H.

What are the key properties of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene?

10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene has a molecular weight of 637.75 g/mol, XLogP of 11.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,10-diazaoctacyclo[17.12.1.02,7.08,32.09,17.011,16.020,25.026,31]dotriaconta-2,4,6,8,11,13,15,17,19(32),20,22,24,26,28,30-pentadecaene is sourced from PubChem (CID 163893675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).