19-dibenzofuran-2-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;ethane

C59H38N4O2 — CID 142571760

IUPAC19-dibenzofuran-2-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;ethane
SMILESCC.c1ccc2cc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-n4c5c(-c6ccc7oc8ccccc8c7c6)cccc5c5c6ccccc6c6ccccc6c54)n3)ccc2c1
InChIInChI=1S/C57H32N4O2.C2H6/c1-2-13-34-30-36(25-24-33(34)12-1)55-58-56(37-26-28-43-41-16-7-9-22-48(41)63-51(43)32-37)60-57(59-55)61-53-38(35-27-29-50-47(31-35)42-17-8-10-23-49(42)62-50)20-11-21-46(53)52-44-18-5-3-14-39(44)40-15-4-6-19-45(40)54(52)61;1-2/h1-32H;1-2H3
InChIKeyCEXBURCONGDCPG-UHFFFAOYSA-N
MW834.98 g/mol
LogP16.25
Rot. Bonds4

About 19-dibenzofuran-2-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;ethane

19-dibenzofuran-2-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;ethane (PubChem CID 142571760) has the molecular formula C59H38N4O2 and a molecular weight of 834.98 g/mol. Its IUPAC name is 19-dibenzofuran-2-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;ethane.

Molecular Properties

Compound Name19-dibenzofuran-2-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;ethane
PubChem CID142571760
Molecular FormulaC59H38N4O2
Molecular Weight834.98 g/mol
Exact Mass834.30
IUPAC Name19-dibenzofuran-2-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;ethane
SMILESCC.c1ccc2cc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-n4c5c(-c6ccc7oc8ccccc8c7c6)cccc5c5c6ccccc6c6ccccc6c54)n3)ccc2c1
InChIInChI=1S/C57H32N4O2.C2H6/c1-2-13-34-30-36(25-24-33(34)12-1)55-58-56(37-26-28-43-41-16-7-9-22-48(41)63-51(43)32-37)60-57(59-55)61-53-38(35-27-29-50-47(31-35)42-17-8-10-23-49(42)62-50)20-11-21-46(53)52-44-18-5-3-14-39(44)40-15-4-6-19-45(40)54(52)61;1-2/h1-32H;1-2H3
InChIKeyCEXBURCONGDCPG-UHFFFAOYSA-N
XLogP16.25
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.98
LogP ≤ 516.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 19-dibenzofuran-2-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;ethane with MolForge

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Related Compounds

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
21-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-19-dibenzothiophen-3-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
CID 142570612
19-dibenzofuran-3-yl-21-(4,6-diphenyl-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
CID 142571840
8-dibenzofuran-2-yl-7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 142570296
19-dibenzofuran-2-yl-21-[4-phenyl-6-(4-phenylphenyl)-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 142570570
21-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-19-(7,7-dimethylbenzo[g]fluoren-9-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
CID 142572138
8-dibenzofuran-2-yl-7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 142571784
8-dibenzofuran-2-yl-7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole;propane
CID 142569627
5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-4-naphtho[2,1-b][1]benzofuran-10-ylbenzo[b]carbazole
CID 142572067
11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzothiol-10-ylbenzo[a]carbazole
CID 142572075
11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-dibenzofuran-2-ylbenzo[a]carbazole;propane
CID 142569985
11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-(9,9-dimethylfluoren-3-yl)benzo[a]carbazole
CID 142572212

Frequently Asked Questions

What is the IUPAC name of 19-dibenzofuran-2-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;ethane?
The IUPAC name of 19-dibenzofuran-2-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;ethane (CID 142571760) is 19-dibenzofuran-2-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;ethane.
What is the SMILES notation for 19-dibenzofuran-2-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;ethane?
The canonical SMILES for 19-dibenzofuran-2-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;ethane is CC.c1ccc2cc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-n4c5c(-c6ccc7oc8ccccc8c7c6)cccc5c5c6ccccc6c6ccccc6c54)n3)ccc2c1.
What is the InChIKey of 19-dibenzofuran-2-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;ethane?
The InChIKey is CEXBURCONGDCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H32N4O2.C2H6/c1-2-13-34-30-36(25-24-33(34)12-1)55-58-56(37-26-28-43-41-16-7-9-22-48(41)63-51(43)32-37)60-57(59-55)61-53-38(35-27-29-50-47(31-35)42-17-8-10-23-49(42)62-50)20-11-21-46(53)52-44-18-5-3-14-39(44)40-15-4-6-19-45(40)54(52)61;1-2/h1-32H;1-2H3.
What are the key properties of 19-dibenzofuran-2-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;ethane?
19-dibenzofuran-2-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;ethane has a molecular weight of 834.98 g/mol, XLogP of 16.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 19-dibenzofuran-2-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;ethane is sourced from PubChem (CID 142571760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).