17-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-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

C59H35N5O — CID 170448522

About 17-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-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

17-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-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 170448522) has the molecular formula C59H35N5O and a molecular weight of 829.96 g/mol. Its IUPAC name is 17-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-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: 17-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-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: 170448522
• Molecular Formula: C59H35N5O
• Molecular Weight: 829.96 g/mol
• Exact Mass: 829.28
• IUPAC Name: 17-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-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(-c3ccc4ccccc4c3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c7cccc8c7c(cc5n6-c5ccccc5)Oc5ccccc5-8)ccc43)n2)cc1
• InChI: InChI=1S/C59H35N5O/c1-3-15-37(16-4-1)57-60-58(41-27-26-36-14-7-8-17-38(36)32-41)62-59(61-57)64-49-24-11-9-20-43(49)47-33-39(28-30-50(47)64)40-29-31-51-48(34-40)55-46-23-13-22-45-44-21-10-12-25-53(44)65-54(56(45)46)35-52(55)63(51)42-18-5-2-6-19-42/h1-35H
• InChIKey: ADSBWMPCNFWPCE-UHFFFAOYSA-N
• XLogP: 15.15
• TPSA: 57.76 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	829.96
LogP ≤ 5	15.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 17-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-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 17-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-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 170448522) is 17-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-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 17-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-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 17-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-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(-c3ccc4ccccc4c3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c7cccc8c7c(cc5n6-c5ccccc5)Oc5ccccc5-8)ccc43)n2)cc1.

What is the InChIKey of 17-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-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 ADSBWMPCNFWPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35N5O/c1-3-15-37(16-4-1)57-60-58(41-27-26-36-14-7-8-17-38(36)32-41)62-59(61-57)64-49-24-11-9-20-43(49)47-33-39(28-30-50(47)64)40-29-31-51-48(34-40)55-46-23-13-22-45-44-21-10-12-25-53(44)65-54(56(45)46)35-52(55)63(51)42-18-5-2-6-19-42/h1-35H.

What are the key properties of 17-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-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?

17-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-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 829.96 g/mol, XLogP of 15.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 17-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-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 170448522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).