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

C44H26N4O3 — CID 172508090

IUPAC7-dibenzofuran-1-yl-5-(6-dibenzofuran-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(C2N=C(c3cc(-c4cccc5oc6ccccc6c45)cc4oc5cnccc5c34)N=C(c3cccc4c3oc3ccccc34)N2)cc1
InChIInChI=1S/C44H26N4O3/c1-2-10-25(11-3-1)42-46-43(32-16-8-15-29-28-12-4-6-17-34(28)51-41(29)32)48-44(47-42)33-22-26(23-37-40(33)31-20-21-45-24-38(31)50-37)27-14-9-19-36-39(27)30-13-5-7-18-35(30)49-36/h1-24,42H,(H,46,47,48)
InChIKeyPIVUHDIHOKILGY-UHFFFAOYSA-N
MW658.72 g/mol
LogP10.94
Rot. Bonds4

About 7-dibenzofuran-1-yl-5-(6-dibenzofuran-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine

7-dibenzofuran-1-yl-5-(6-dibenzofuran-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine (PubChem CID 172508090) has the molecular formula C44H26N4O3 and a molecular weight of 658.72 g/mol. Its IUPAC name is 7-dibenzofuran-1-yl-5-(6-dibenzofuran-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name7-dibenzofuran-1-yl-5-(6-dibenzofuran-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine
PubChem CID172508090
Molecular FormulaC44H26N4O3
Molecular Weight658.72 g/mol
Exact Mass658.20
IUPAC Name7-dibenzofuran-1-yl-5-(6-dibenzofuran-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(C2N=C(c3cc(-c4cccc5oc6ccccc6c45)cc4oc5cnccc5c34)N=C(c3cccc4c3oc3ccccc34)N2)cc1
InChIInChI=1S/C44H26N4O3/c1-2-10-25(11-3-1)42-46-43(32-16-8-15-29-28-12-4-6-17-34(28)51-41(29)32)48-44(47-42)33-22-26(23-37-40(33)31-20-21-45-24-38(31)50-37)27-14-9-19-36-39(27)30-13-5-7-18-35(30)49-36/h1-24,42H,(H,46,47,48)
InChIKeyPIVUHDIHOKILGY-UHFFFAOYSA-N
XLogP10.94
TPSA89.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.72
LogP ≤ 510.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-dibenzofuran-1-yl-5-(6-dibenzofuran-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine with MolForge

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Related Compounds

4-(3-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-1-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170248755
5-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine
CID 166801570
4-dibenzofuran-1-yl-6-(7-dibenzofuran-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 166961083
4-[6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzofuro[2,3-c]pyridine
CID 163854354
9-dibenzofuran-4-yl-6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-[1]benzofuro[3,2-g]isoquinoline
CID 159438429
4-dibenzofuran-4-yl-6-(8-phenanthren-3-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 137301524
4-[4-(3-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 167029619
8-naphthalen-2-yl-5-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine
CID 166801704
4-dibenzothiophen-2-yl-6-(3-dibenzothiophen-1-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167008414
4-[3-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 170247021
6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 166961200
4-[4-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 163426501

Frequently Asked Questions

What is the IUPAC name of 7-dibenzofuran-1-yl-5-(6-dibenzofuran-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 7-dibenzofuran-1-yl-5-(6-dibenzofuran-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine (CID 172508090) is 7-dibenzofuran-1-yl-5-(6-dibenzofuran-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 7-dibenzofuran-1-yl-5-(6-dibenzofuran-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 7-dibenzofuran-1-yl-5-(6-dibenzofuran-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine is c1ccc(C2N=C(c3cc(-c4cccc5oc6ccccc6c45)cc4oc5cnccc5c34)N=C(c3cccc4c3oc3ccccc34)N2)cc1.
What is the InChIKey of 7-dibenzofuran-1-yl-5-(6-dibenzofuran-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine?
The InChIKey is PIVUHDIHOKILGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4O3/c1-2-10-25(11-3-1)42-46-43(32-16-8-15-29-28-12-4-6-17-34(28)51-41(29)32)48-44(47-42)33-22-26(23-37-40(33)31-20-21-45-24-38(31)50-37)27-14-9-19-36-39(27)30-13-5-7-18-35(30)49-36/h1-24,42H,(H,46,47,48).
What are the key properties of 7-dibenzofuran-1-yl-5-(6-dibenzofuran-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine?
7-dibenzofuran-1-yl-5-(6-dibenzofuran-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine has a molecular weight of 658.72 g/mol, XLogP of 10.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dibenzofuran-1-yl-5-(6-dibenzofuran-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 172508090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).