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

C42H26N4O2 — CID 166801351

IUPAC5-[4-dibenzofuran-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridine
SMILESC1=Cc2c(oc3cccc(-c4nc(-c5ccc6cc(-c7ccccc7)ccc6c5)nc(-c5cccc6oc7ccccc7c56)n4)c23)CN1
InChIInChI=1S/C42H26N4O2/c1-2-8-25(9-3-1)26-16-17-28-23-29(19-18-27(28)22-26)40-44-41(32-11-6-14-35-38(32)30-10-4-5-13-34(30)47-35)46-42(45-40)33-12-7-15-36-39(33)31-20-21-43-24-37(31)48-36/h1-23,43H,24H2
InChIKeySOUWFPBDOWMFIL-UHFFFAOYSA-N
MW618.70 g/mol
LogP10.41
Rot. Bonds4

About 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

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 (PubChem CID 166801351) has the molecular formula C42H26N4O2 and a molecular weight of 618.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[4-dibenzofuran-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridine
PubChem CID166801351
Molecular FormulaC42H26N4O2
Molecular Weight618.70 g/mol
Exact Mass618.21
IUPAC Name5-[4-dibenzofuran-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridine
SMILESC1=Cc2c(oc3cccc(-c4nc(-c5ccc6cc(-c7ccccc7)ccc6c5)nc(-c5cccc6oc7ccccc7c56)n4)c23)CN1
InChIInChI=1S/C42H26N4O2/c1-2-8-25(9-3-1)26-16-17-28-23-29(19-18-27(28)22-26)40-44-41(32-11-6-14-35-38(32)30-10-4-5-13-34(30)47-35)46-42(45-40)33-12-7-15-36-39(33)31-20-21-43-24-37(31)48-36/h1-23,43H,24H2
InChIKeySOUWFPBDOWMFIL-UHFFFAOYSA-N
XLogP10.41
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 ≤ 510.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
2-dibenzofuran-1-yl-4-phenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171607713
2-dibenzofuran-1-yl-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 162504507
2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170927804
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-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-naphtho[3,2-b][1]benzofuran-8-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174198496
2-dibenzofuran-1-yl-4-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170017751
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2-dibenzofuran-1-yl-4-phenyl-6-[3-(6-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 177130837
4-[4-dibenzofuran-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 168785513

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=Cc2c(oc3cccc(-c4nc(-c5ccc6cc(-c7ccccc7)ccc6c5)nc(-c5cccc6oc7ccccc7c56)n4)c23)CN1.
What is the InChIKey of 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?
The InChIKey is SOUWFPBDOWMFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4O2/c1-2-8-25(9-3-1)26-16-17-28-23-29(19-18-27(28)22-26)40-44-41(32-11-6-14-35-38(32)30-10-4-5-13-34(30)47-35)46-42(45-40)33-12-7-15-36-39(33)31-20-21-43-24-37(31)48-36/h1-23,43H,24H2.
What are the key properties of 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?
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 has a molecular weight of 618.70 g/mol, XLogP of 10.41, 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-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-1,2-dihydro-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 166801351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).