19-dibenzofuran-3-yl-21-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;propane

C60H40N4O2 — CID 142570998

About 19-dibenzofuran-3-yl-21-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;propane

19-dibenzofuran-3-yl-21-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;propane (PubChem CID 142570998) has the molecular formula C60H40N4O2 and a molecular weight of 849.01 g/mol. Its IUPAC name is 19-dibenzofuran-3-yl-21-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;propane.

Molecular Properties

• Compound Name: 19-dibenzofuran-3-yl-21-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;propane
• PubChem CID: 142570998
• Molecular Formula: C60H40N4O2
• Molecular Weight: 849.01 g/mol
• Exact Mass: 848.32
• IUPAC Name: 19-dibenzofuran-3-yl-21-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;propane
• SMILES: CCC.c1ccc2cc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-n4c5c(-c6ccc7c(c6)oc6ccccc67)cccc5c5c6ccccc6c6ccccc6c54)n3)ccc2c1
• InChI: InChI=1S/C57H32N4O2.C3H8/c1-2-13-34-30-36(25-24-33(34)12-1)55-58-56(37-27-29-44-42-17-8-10-23-49(42)63-51(44)32-37)60-57(59-55)61-53-38(35-26-28-43-41-16-7-9-22-48(41)62-50(43)31-35)20-11-21-47(53)52-45-18-5-3-14-39(45)40-15-4-6-19-46(40)54(52)61;1-3-2/h1-32H;3H2,1-2H3
• InChIKey: GWLQAGSQUMFELZ-UHFFFAOYSA-N
• XLogP: 16.64
• TPSA: 69.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	849.01
LogP ≤ 5	16.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 19-dibenzofuran-3-yl-21-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;propane?

The IUPAC name of 19-dibenzofuran-3-yl-21-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;propane (CID 142570998) is 19-dibenzofuran-3-yl-21-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;propane.

What is the SMILES notation for 19-dibenzofuran-3-yl-21-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;propane?

The canonical SMILES for 19-dibenzofuran-3-yl-21-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;propane is CCC.c1ccc2cc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-n4c5c(-c6ccc7c(c6)oc6ccccc67)cccc5c5c6ccccc6c6ccccc6c54)n3)ccc2c1.

What is the InChIKey of 19-dibenzofuran-3-yl-21-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;propane?

The InChIKey is GWLQAGSQUMFELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H32N4O2.C3H8/c1-2-13-34-30-36(25-24-33(34)12-1)55-58-56(37-27-29-44-42-17-8-10-23-49(42)63-51(44)32-37)60-57(59-55)61-53-38(35-26-28-43-41-16-7-9-22-48(41)62-50(43)31-35)20-11-21-47(53)52-45-18-5-3-14-39(45)40-15-4-6-19-46(40)54(52)61;1-3-2/h1-32H;3H2,1-2H3.

What are the key properties of 19-dibenzofuran-3-yl-21-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;propane?

19-dibenzofuran-3-yl-21-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;propane has a molecular weight of 849.01 g/mol, XLogP of 16.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 19-dibenzofuran-3-yl-21-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene;propane is sourced from PubChem (CID 142570998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).