5-[5-(2-dibenzofuran-1-yl-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphthalen-1-yl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridine

C46H32N4O2 — CID 166801193

IUPAC5-[5-(2-dibenzofuran-1-yl-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphthalen-1-yl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridine
SMILESC1=Cc2c(oc3cccc(-c4cccc5c(C6=NC(c7ccc8ccccc8c7)NC(c7cccc8oc9ccccc9c78)N6)cccc45)c23)CN1
InChIInChI=1S/C46H32N4O2/c1-2-10-28-25-29(22-21-27(28)9-1)44-48-45(50-46(49-44)37-17-8-20-40-43(37)35-11-3-4-18-38(35)51-40)34-16-6-12-30-31(13-5-14-32(30)34)33-15-7-19-39-42(33)36-23-24-47-26-41(36)52-39/h1-25,44,46-47,49H,26H2,(H,48,50)
InChIKeyRGSVRDJJJBZDGK-UHFFFAOYSA-N
MW672.79 g/mol
LogP10.72
Rot. Bonds4

About 5-[5-(2-dibenzofuran-1-yl-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphthalen-1-yl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridine

5-[5-(2-dibenzofuran-1-yl-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphthalen-1-yl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridine (PubChem CID 166801193) has the molecular formula C46H32N4O2 and a molecular weight of 672.79 g/mol. Its IUPAC name is 5-[5-(2-dibenzofuran-1-yl-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphthalen-1-yl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name5-[5-(2-dibenzofuran-1-yl-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphthalen-1-yl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridine
PubChem CID166801193
Molecular FormulaC46H32N4O2
Molecular Weight672.79 g/mol
Exact Mass672.25
IUPAC Name5-[5-(2-dibenzofuran-1-yl-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphthalen-1-yl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridine
SMILESC1=Cc2c(oc3cccc(-c4cccc5c(C6=NC(c7ccc8ccccc8c7)NC(c7cccc8oc9ccccc9c78)N6)cccc45)c23)CN1
InChIInChI=1S/C46H32N4O2/c1-2-10-28-25-29(22-21-27(28)9-1)44-48-45(50-46(49-44)37-17-8-20-40-43(37)35-11-3-4-18-38(35)51-40)34-16-6-12-30-31(13-5-14-32(30)34)33-15-7-19-39-42(33)36-23-24-47-26-41(36)52-39/h1-25,44,46-47,49H,26H2,(H,48,50)
InChIKeyRGSVRDJJJBZDGK-UHFFFAOYSA-N
XLogP10.72
TPSA74.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.79
LogP ≤ 510.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[5-(2-dibenzofuran-1-yl-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphthalen-1-yl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridine with MolForge

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Related Compounds

5-(2-dibenzofuran-1-yl-4-fluoranthen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-1,2-dihydro-[1]benzofuro[2,3-b]pyridine
CID 157346333
6-naphthalen-1-yl-4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 155382782
10-[6-(2-dibenzofuran-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline
CID 166800216
2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167038129
9-(4-naphthalen-2-yl-2-phenanthren-3-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-[1]benzofuro[3,2-c]pyridine
CID 166801866
5-[4-dibenzofuran-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridine
CID 166801351
2-[4-[2-(4a,8a-dihydronaphthalen-2-yl)phenyl]dibenzofuran-1-yl]-6-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163593537
5-(2-dibenzofuran-1-yl-4-phenanthren-9-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-[1]benzofuro[2,3-c]pyridine
CID 166801343
9-[2-naphthalen-2-yl-4-(4-phenylnaphthalen-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-b]pyridine
CID 166801790
1-[3-(2-dibenzofuran-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline
CID 166800136
7-dibenzofuran-4-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1,2-dihydro-[1]benzofuro[2,3-c]pyridine
CID 163894153
10-[2-(2-dibenzofuran-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)naphthalen-1-yl]-[1]benzofuro[2,3-g]isoquinoline
CID 166800145

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-dibenzofuran-1-yl-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphthalen-1-yl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 5-[5-(2-dibenzofuran-1-yl-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphthalen-1-yl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridine (CID 166801193) is 5-[5-(2-dibenzofuran-1-yl-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphthalen-1-yl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 5-[5-(2-dibenzofuran-1-yl-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphthalen-1-yl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 5-[5-(2-dibenzofuran-1-yl-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphthalen-1-yl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridine is C1=Cc2c(oc3cccc(-c4cccc5c(C6=NC(c7ccc8ccccc8c7)NC(c7cccc8oc9ccccc9c78)N6)cccc45)c23)CN1.
What is the InChIKey of 5-[5-(2-dibenzofuran-1-yl-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphthalen-1-yl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridine?
The InChIKey is RGSVRDJJJBZDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N4O2/c1-2-10-28-25-29(22-21-27(28)9-1)44-48-45(50-46(49-44)37-17-8-20-40-43(37)35-11-3-4-18-38(35)51-40)34-16-6-12-30-31(13-5-14-32(30)34)33-15-7-19-39-42(33)36-23-24-47-26-41(36)52-39/h1-25,44,46-47,49H,26H2,(H,48,50).
What are the key properties of 5-[5-(2-dibenzofuran-1-yl-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphthalen-1-yl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridine?
5-[5-(2-dibenzofuran-1-yl-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphthalen-1-yl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridine has a molecular weight of 672.79 g/mol, XLogP of 10.72, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-dibenzofuran-1-yl-4-naphthalen-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)naphthalen-1-yl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 166801193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).