18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene

C55H33N5O — CID 167137905

About 18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene

18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene (PubChem CID 167137905) has the molecular formula C55H33N5O and a molecular weight of 779.90 g/mol. Its IUPAC name is 18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene.

Molecular Properties

• Compound Name: 18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene
• PubChem CID: 167137905
• Molecular Formula: C55H33N5O
• Molecular Weight: 779.90 g/mol
• Exact Mass: 779.27
• IUPAC Name: 18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5ccc6c7c8cccc9c8c(cc7n(-c7ccccc7)c6c5)Oc5ccccc5-9)cccc43)n2)cc1
• InChI: InChI=1S/C55H33N5O/c1-4-16-34(17-5-1)53-56-54(35-18-6-2-7-19-35)58-55(57-53)60-44-27-12-10-23-41(44)50-38(24-15-28-45(50)60)36-30-31-42-46(32-36)59(37-20-8-3-9-21-37)47-33-49-52-40(25-14-26-43(52)51(42)47)39-22-11-13-29-48(39)61-49/h1-33H
• InChIKey: YEKGZHXNERAIKU-UHFFFAOYSA-N
• XLogP: 13.99
• TPSA: 57.76 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	779.90
LogP ≤ 5	13.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene?

The IUPAC name of 18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene (CID 167137905) is 18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene.

What is the SMILES notation for 18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene?

The canonical SMILES for 18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c(-c5ccc6c7c8cccc9c8c(cc7n(-c7ccccc7)c6c5)Oc5ccccc5-9)cccc43)n2)cc1.

What is the InChIKey of 18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene?

The InChIKey is YEKGZHXNERAIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N5O/c1-4-16-34(17-5-1)53-56-54(35-18-6-2-7-19-35)58-55(57-53)60-44-27-12-10-23-41(44)50-38(24-15-28-45(50)60)36-30-31-42-46(32-36)59(37-20-8-3-9-21-37)47-33-49-52-40(25-14-26-43(52)51(42)47)39-22-11-13-29-48(39)61-49/h1-33H.

What are the key properties of 18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene?

18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene has a molecular weight of 779.90 g/mol, XLogP of 13.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene is sourced from PubChem (CID 167137905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).