24-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-4-phenyl-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

C61H37N7O — CID 167415223

About 24-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-4-phenyl-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

24-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-4-phenyl-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene (PubChem CID 167415223) has the molecular formula C61H37N7O and a molecular weight of 884.02 g/mol. Its IUPAC name is 24-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-4-phenyl-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene.

Molecular Properties

• Compound Name: 24-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-4-phenyl-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
• PubChem CID: 167415223
• Molecular Formula: C61H37N7O
• Molecular Weight: 884.02 g/mol
• Exact Mass: 883.31
• IUPAC Name: 24-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-4-phenyl-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
• SMILES: c1ccc(-c2cc(-c3nc(-c4ccccn4)nc(-c4ccccn4)n3)cc(-c3ccccc3)c2-n2c3ccccc3c3c4oc5ccc6c7ccccc7n(-c7ccccc7)c6c5c4ccc32)cc1
• InChI: InChI=1S/C61H37N7O/c1-4-18-38(19-5-1)46-36-40(59-64-60(48-26-14-16-34-62-48)66-61(65-59)49-27-15-17-35-63-49)37-47(39-20-6-2-7-21-39)56(46)68-51-29-13-11-25-44(51)54-52(68)32-30-45-55-53(69-58(45)54)33-31-43-42-24-10-12-28-50(42)67(57(43)55)41-22-8-3-9-23-41/h1-37H
• InChIKey: ILKKWOJATNPMPD-UHFFFAOYSA-N
• XLogP: 15.09
• TPSA: 87.45 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	884.02
LogP ≤ 5	15.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 24-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-4-phenyl-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?

The IUPAC name of 24-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-4-phenyl-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene (CID 167415223) is 24-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-4-phenyl-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene.

What is the SMILES notation for 24-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-4-phenyl-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?

The canonical SMILES for 24-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-4-phenyl-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene is c1ccc(-c2cc(-c3nc(-c4ccccn4)nc(-c4ccccn4)n3)cc(-c3ccccc3)c2-n2c3ccccc3c3c4oc5ccc6c7ccccc7n(-c7ccccc7)c6c5c4ccc32)cc1.

What is the InChIKey of 24-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-4-phenyl-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?

The InChIKey is ILKKWOJATNPMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N7O/c1-4-18-38(19-5-1)46-36-40(59-64-60(48-26-14-16-34-62-48)66-61(65-59)49-27-15-17-35-63-49)37-47(39-20-6-2-7-21-39)56(46)68-51-29-13-11-25-44(51)54-52(68)32-30-45-55-53(69-58(45)54)33-31-43-42-24-10-12-28-50(42)67(57(43)55)41-22-8-3-9-23-41/h1-37H.

What are the key properties of 24-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-4-phenyl-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?

24-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-4-phenyl-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene has a molecular weight of 884.02 g/mol, XLogP of 15.09, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 24-[4-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-4-phenyl-15-oxa-4,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 167415223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).