11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-dipyridin-4-yl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

C55H33N7O2 — CID 147959771

About 11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-dipyridin-4-yl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-dipyridin-4-yl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (PubChem CID 147959771) has the molecular formula C55H33N7O2 and a molecular weight of 823.92 g/mol. Its IUPAC name is 11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-dipyridin-4-yl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-dipyridin-4-yl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
• PubChem CID: 147959771
• Molecular Formula: C55H33N7O2
• Molecular Weight: 823.92 g/mol
• Exact Mass: 823.27
• IUPAC Name: 11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-dipyridin-4-yl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cc6c7c(c5)Oc5cc(-c8ccncc8)ccc5N7c5ccc(-c7ccncc7)cc5O6)ccc43)n2)cc1
• InChI: InChI=1S/C55H33N7O2/c1-3-9-36(10-4-1)53-58-54(37-11-5-2-6-12-37)60-55(59-53)62-44-14-8-7-13-42(44)43-29-38(15-18-45(43)62)41-32-50-52-51(33-41)64-49-31-40(35-23-27-57-28-24-35)17-20-47(49)61(52)46-19-16-39(30-48(46)63-50)34-21-25-56-26-22-34/h1-33H
• InChIKey: IPGDZSUKBHELIN-UHFFFAOYSA-N
• XLogP: 13.77
• TPSA: 91.08 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	823.92
LogP ≤ 5	13.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-dipyridin-4-yl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The IUPAC name of 11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-dipyridin-4-yl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (CID 147959771) is 11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-dipyridin-4-yl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.

What is the SMILES notation for 11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-dipyridin-4-yl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The canonical SMILES for 11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-dipyridin-4-yl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cc6c7c(c5)Oc5cc(-c8ccncc8)ccc5N7c5ccc(-c7ccncc7)cc5O6)ccc43)n2)cc1.

What is the InChIKey of 11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-dipyridin-4-yl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The InChIKey is IPGDZSUKBHELIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N7O2/c1-3-9-36(10-4-1)53-58-54(37-11-5-2-6-12-37)60-55(59-53)62-44-14-8-7-13-42(44)43-29-38(15-18-45(43)62)41-32-50-52-51(33-41)64-49-31-40(35-23-27-57-28-24-35)17-20-47(49)61(52)46-19-16-39(30-48(46)63-50)34-21-25-56-26-22-34/h1-33H.

What are the key properties of 11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-dipyridin-4-yl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-dipyridin-4-yl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene has a molecular weight of 823.92 g/mol, XLogP of 13.77, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-dipyridin-4-yl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is sourced from PubChem (CID 147959771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).