11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16,18,20,22(26),23-dodecaene

C51H29N5O — CID 162507130

About 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16,18,20,22(26),23-dodecaene

11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16,18,20,22(26),23-dodecaene (PubChem CID 162507130) has the molecular formula C51H29N5O and a molecular weight of 727.83 g/mol. Its IUPAC name is 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16,18,20,22(26),23-dodecaene.

Molecular Properties

• Compound Name: 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16,18,20,22(26),23-dodecaene
• PubChem CID: 162507130
• Molecular Formula: C51H29N5O
• Molecular Weight: 727.83 g/mol
• Exact Mass: 727.24
• IUPAC Name: 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16,18,20,22(26),23-dodecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5cc6c7cccc8c9ccccc9n(c6cc54)c87)cc4c3oc3ccccc34)n2)cc1
• InChI: InChI=1S/C51H29N5O/c1-3-14-30(15-4-1)49-52-50(31-16-5-2-6-17-31)54-51(53-49)41-27-32(26-40-35-20-9-12-25-46(35)57-48(40)41)55-42-23-10-8-19-34(42)38-28-39-37-22-13-21-36-33-18-7-11-24-43(33)56(47(36)37)45(39)29-44(38)55/h1-29H
• InChIKey: LPEKEHILVOGCNN-UHFFFAOYSA-N
• XLogP: 13.02
• TPSA: 61.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	727.83
LogP ≤ 5	13.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16,18,20,22(26),23-dodecaene?

The IUPAC name of 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16,18,20,22(26),23-dodecaene (CID 162507130) is 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16,18,20,22(26),23-dodecaene.

What is the SMILES notation for 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16,18,20,22(26),23-dodecaene?

The canonical SMILES for 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16,18,20,22(26),23-dodecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5cc6c7cccc8c9ccccc9n(c6cc54)c87)cc4c3oc3ccccc34)n2)cc1.

What is the InChIKey of 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16,18,20,22(26),23-dodecaene?

The InChIKey is LPEKEHILVOGCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N5O/c1-3-14-30(15-4-1)49-52-50(31-16-5-2-6-17-31)54-51(53-49)41-27-32(26-40-35-20-9-12-25-46(35)57-48(40)41)55-42-23-10-8-19-34(42)38-28-39-37-22-13-21-36-33-18-7-11-24-43(33)56(47(36)37)45(39)29-44(38)55/h1-29H.

What are the key properties of 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16,18,20,22(26),23-dodecaene?

11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16,18,20,22(26),23-dodecaene has a molecular weight of 727.83 g/mol, XLogP of 13.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11,15-diazaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16,18,20,22(26),23-dodecaene is sourced from PubChem (CID 162507130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).