25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,26-diphenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene

C57H35N5 — CID 160587571

About 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,26-diphenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene

25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,26-diphenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene (PubChem CID 160587571) has the molecular formula C57H35N5 and a molecular weight of 789.94 g/mol. Its IUPAC name is 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,26-diphenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene.

Molecular Properties

• Compound Name: 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,26-diphenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
• PubChem CID: 160587571
• Molecular Formula: C57H35N5
• Molecular Weight: 789.94 g/mol
• Exact Mass: 789.29
• IUPAC Name: 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,26-diphenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cccc6c7ccccc7c7cccc8c7c7c(c65)c4c(-c4ccccc4)cc7n8-c4ccccc4)cc3)n2)cc1
• InChI: InChI=1S/C57H35N5/c1-5-17-36(18-6-1)46-35-49-52-50-44(27-15-29-47(50)61(49)40-23-11-4-12-24-40)42-25-13-14-26-43(42)45-28-16-30-48-51(45)53(52)54(46)62(48)41-33-31-39(32-34-41)57-59-55(37-19-7-2-8-20-37)58-56(60-57)38-21-9-3-10-22-38/h1-35H/b44-42-,45-43-
• InChIKey: RCPABUIRJYAMMZ-KORGAQCJSA-N
• XLogP: 14.48
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	789.94
LogP ≤ 5	14.48
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]-2,26-diphenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene?

The IUPAC name of 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,26-diphenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene (CID 160587571) is 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,26-diphenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene.

What is the SMILES notation for 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,26-diphenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene?

The canonical SMILES for 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,26-diphenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cccc6c7ccccc7c7cccc8c7c7c(c65)c4c(-c4ccccc4)cc7n8-c4ccccc4)cc3)n2)cc1.

What is the InChIKey of 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,26-diphenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene?

The InChIKey is RCPABUIRJYAMMZ-KORGAQCJSA-N. The full InChI is InChI=1S/C57H35N5/c1-5-17-36(18-6-1)46-35-49-52-50-44(27-15-29-47(50)61(49)40-23-11-4-12-24-40)42-25-13-14-26-43(42)45-28-16-30-48-51(45)53(52)54(46)62(48)41-33-31-39(32-34-41)57-59-55(37-19-7-2-8-20-37)58-56(60-57)38-21-9-3-10-22-38/h1-35H/b44-42-,45-43-.

What are the key properties of 25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,26-diphenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene?

25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,26-diphenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene has a molecular weight of 789.94 g/mol, XLogP of 14.48, 6 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]-2,26-diphenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene is sourced from PubChem (CID 160587571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).