2-phenyl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine

C49H31N3O — CID 176853882

IUPAC2-phenyl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cc6c7ccccc7oc6c6c(-c7ccccc7)cccc56)n4)cc3)cc2)cc1
InChIInChI=1S/C49H31N3O/c1-4-13-32(14-5-1)33-23-25-34(26-24-33)35-27-29-38(30-28-35)48-50-47(37-17-8-3-9-18-37)51-49(52-48)43-31-42-40-19-10-11-22-44(40)53-46(42)45-39(20-12-21-41(43)45)36-15-6-2-7-16-36/h1-31H
InChIKeyFVGOSXFQOWOKND-UHFFFAOYSA-N
MW677.81 g/mol
LogP12.93
Rot. Bonds6

About 2-phenyl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine

2-phenyl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 176853882) has the molecular formula C49H31N3O and a molecular weight of 677.81 g/mol. Its IUPAC name is 2-phenyl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
PubChem CID176853882
Molecular FormulaC49H31N3O
Molecular Weight677.81 g/mol
Exact Mass677.25
IUPAC Name2-phenyl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cc6c7ccccc7oc6c6c(-c7ccccc7)cccc56)n4)cc3)cc2)cc1
InChIInChI=1S/C49H31N3O/c1-4-13-32(14-5-1)33-23-25-34(26-24-33)35-27-29-38(30-28-35)48-50-47(37-17-8-3-9-18-37)51-49(52-48)43-31-42-40-19-10-11-22-44(40)53-46(42)45-39(20-12-21-41(43)45)36-15-6-2-7-16-36/h1-31H
InChIKeyFVGOSXFQOWOKND-UHFFFAOYSA-N
XLogP12.93
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.81
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-diphenylphenyl)-4-phenyl-6-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 176853741
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 176853545
2-naphthalen-2-yl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853985
2-dibenzofuran-4-yl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818511
2-dibenzofuran-4-yl-4-phenyl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 176853479
2-dibenzofuran-4-yl-4-phenyl-6-(4-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176853441
2-dibenzofuran-4-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741551
2-(4-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853535
2-dibenzofuran-2-yl-4-phenyl-6-(4-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 176853489
2-dibenzofuran-1-yl-4-(4-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853965
2-dibenzofuran-4-yl-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 139441684
2-dibenzofuran-3-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 166952205

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine (CID 176853882) is 2-phenyl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cc6c7ccccc7oc6c6c(-c7ccccc7)cccc56)n4)cc3)cc2)cc1.
What is the InChIKey of 2-phenyl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is FVGOSXFQOWOKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3O/c1-4-13-32(14-5-1)33-23-25-34(26-24-33)35-27-29-38(30-28-35)48-50-47(37-17-8-3-9-18-37)51-49(52-48)43-31-42-40-19-10-11-22-44(40)53-46(42)45-39(20-12-21-41(43)45)36-15-6-2-7-16-36/h1-31H.
What are the key properties of 2-phenyl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine?
2-phenyl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 677.81 g/mol, XLogP of 12.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 176853882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).