5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine

C42H26N4O2 — CID 166801501

IUPAC5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine
SMILESC1=Cc2c(oc3c(-c4ccc5ccccc5c4)ccc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccccc7c56)n4)c23)NC1
InChIInChI=1S/C42H26N4O2/c1-2-11-26(12-3-1)39-44-40(31-15-8-18-35-36(31)30-14-6-7-17-34(30)47-35)46-41(45-39)32-22-21-29(28-20-19-25-10-4-5-13-27(25)24-28)38-37(32)33-16-9-23-43-42(33)48-38/h1-22,24,43H,23H2
InChIKeyAGBQZOGJGBSOJI-UHFFFAOYSA-N
MW618.70 g/mol
LogP10.78
Rot. Bonds4

About 5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine

5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine (PubChem CID 166801501) has the molecular formula C42H26N4O2 and a molecular weight of 618.70 g/mol. Its IUPAC name is 5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine
PubChem CID166801501
Molecular FormulaC42H26N4O2
Molecular Weight618.70 g/mol
Exact Mass618.21
IUPAC Name5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine
SMILESC1=Cc2c(oc3c(-c4ccc5ccccc5c4)ccc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccccc7c56)n4)c23)NC1
InChIInChI=1S/C42H26N4O2/c1-2-11-26(12-3-1)39-44-40(31-15-8-18-35-36(31)30-14-6-7-17-34(30)47-35)46-41(45-39)32-22-21-29(28-20-19-25-10-4-5-13-27(25)24-28)38-37(32)33-16-9-23-43-42(33)48-38/h1-22,24,43H,23H2
InChIKeyAGBQZOGJGBSOJI-UHFFFAOYSA-N
XLogP10.78
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.70
LogP ≤ 510.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-fluoranthen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine
CID 166801235
2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588100
2-dibenzofuran-1-yl-4-[3-(5-naphthalen-2-ylnaphthalen-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 176766280
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164972990
2-dibenzofuran-1-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 164747858
2,4-di(dibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 163874534
2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742525
2-(3-dibenzofuran-1-ylphenyl)-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 172545501
2-(4-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166743608
2-dibenzofuran-1-yl-4-(2-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166743045
2,4-dinaphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163773356
2-dibenzofuran-1-yl-4-(1-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 177130847

Frequently Asked Questions

What is the IUPAC name of 5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine (CID 166801501) is 5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine is C1=Cc2c(oc3c(-c4ccc5ccccc5c4)ccc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccccc7c56)n4)c23)NC1.
What is the InChIKey of 5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine?
The InChIKey is AGBQZOGJGBSOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4O2/c1-2-11-26(12-3-1)39-44-40(31-15-8-18-35-36(31)30-14-6-7-17-34(30)47-35)46-41(45-39)32-22-21-29(28-20-19-25-10-4-5-13-27(25)24-28)38-37(32)33-16-9-23-43-42(33)48-38/h1-22,24,43H,23H2.
What are the key properties of 5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine?
5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine has a molecular weight of 618.70 g/mol, XLogP of 10.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-8-naphthalen-2-yl-1,2-dihydro-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 166801501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).