32-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,33-dioxa-32-azanonacyclo[27.2.1.123,26.02,10.04,9.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),4,6,8,11,13,15,17,19(24),20,22,25,27,29-pentadecaene

C45H24N4O2 — CID 163458578

About 32-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,33-dioxa-32-azanonacyclo[27.2.1.123,26.02,10.04,9.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),4,6,8,11,13,15,17,19(24),20,22,25,27,29-pentadecaene

32-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,33-dioxa-32-azanonacyclo[27.2.1.123,26.02,10.04,9.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),4,6,8,11,13,15,17,19(24),20,22,25,27,29-pentadecaene (PubChem CID 163458578) has the molecular formula C45H24N4O2 and a molecular weight of 652.71 g/mol. Its IUPAC name is 32-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,33-dioxa-32-azanonacyclo[27.2.1.123,26.02,10.04,9.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),4,6,8,11,13,15,17,19(24),20,22,25,27,29-pentadecaene.

Molecular Properties

• Compound Name: 32-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,33-dioxa-32-azanonacyclo[27.2.1.123,26.02,10.04,9.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),4,6,8,11,13,15,17,19(24),20,22,25,27,29-pentadecaene
• PubChem CID: 163458578
• Molecular Formula: C45H24N4O2
• Molecular Weight: 652.71 g/mol
• Exact Mass: 652.19
• IUPAC Name: 32-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,33-dioxa-32-azanonacyclo[27.2.1.123,26.02,10.04,9.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),4,6,8,11,13,15,17,19(24),20,22,25,27,29-pentadecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc5oc6cccc7c8ccccc8c8cc9c%10ccccc%10oc9c3c8c4c5c67)n2)cc1
• InChI: InChI=1S/C45H24N4O2/c1-3-12-25(13-4-1)43-46-44(26-14-5-2-6-15-26)48-45(47-43)49-33-22-23-36-40-37-30(19-11-21-35(37)50-36)27-16-7-8-17-28(27)31-24-32-29-18-9-10-20-34(29)51-42(32)41(49)38(31)39(33)40/h1-24H/b30-27-,31-28-
• InChIKey: CJCKOABNJPVKPQ-GEADDECUSA-N
• XLogP: 11.85
• TPSA: 69.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	652.71
LogP ≤ 5	11.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 32-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,33-dioxa-32-azanonacyclo[27.2.1.123,26.02,10.04,9.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),4,6,8,11,13,15,17,19(24),20,22,25,27,29-pentadecaene?

The IUPAC name of 32-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,33-dioxa-32-azanonacyclo[27.2.1.123,26.02,10.04,9.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),4,6,8,11,13,15,17,19(24),20,22,25,27,29-pentadecaene (CID 163458578) is 32-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,33-dioxa-32-azanonacyclo[27.2.1.123,26.02,10.04,9.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),4,6,8,11,13,15,17,19(24),20,22,25,27,29-pentadecaene.

What is the SMILES notation for 32-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,33-dioxa-32-azanonacyclo[27.2.1.123,26.02,10.04,9.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),4,6,8,11,13,15,17,19(24),20,22,25,27,29-pentadecaene?

The canonical SMILES for 32-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,33-dioxa-32-azanonacyclo[27.2.1.123,26.02,10.04,9.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),4,6,8,11,13,15,17,19(24),20,22,25,27,29-pentadecaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc5oc6cccc7c8ccccc8c8cc9c%10ccccc%10oc9c3c8c4c5c67)n2)cc1.

What is the InChIKey of 32-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,33-dioxa-32-azanonacyclo[27.2.1.123,26.02,10.04,9.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),4,6,8,11,13,15,17,19(24),20,22,25,27,29-pentadecaene?

The InChIKey is CJCKOABNJPVKPQ-GEADDECUSA-N. The full InChI is InChI=1S/C45H24N4O2/c1-3-12-25(13-4-1)43-46-44(26-14-5-2-6-15-26)48-45(47-43)49-33-22-23-36-40-37-30(19-11-21-35(37)50-36)27-16-7-8-17-28(27)31-24-32-29-18-9-10-20-34(29)51-42(32)41(49)38(31)39(33)40/h1-24H/b30-27-,31-28-.

What are the key properties of 32-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,33-dioxa-32-azanonacyclo[27.2.1.123,26.02,10.04,9.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),4,6,8,11,13,15,17,19(24),20,22,25,27,29-pentadecaene?

32-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,33-dioxa-32-azanonacyclo[27.2.1.123,26.02,10.04,9.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),4,6,8,11,13,15,17,19(24),20,22,25,27,29-pentadecaene has a molecular weight of 652.71 g/mol, XLogP of 11.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 32-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,33-dioxa-32-azanonacyclo[27.2.1.123,26.02,10.04,9.012,31.013,18.019,24.025,30]tritriaconta-1(31),2(10),4,6,8,11,13,15,17,19(24),20,22,25,27,29-pentadecaene is sourced from PubChem (CID 163458578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).