6-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine

C49H33N3O — CID 137285203

IUPAC6-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc(-c4ccccc4)cc3)NC(c3cccc4oc5ccc(-c6cccc(-c7ccc8ccccc8c7)c6)cc5c34)=N2)cc1
InChIInChI=1S/C49H33N3O/c1-3-11-32(12-4-1)34-21-24-36(25-22-34)48-50-47(35-14-5-2-6-15-35)51-49(52-48)42-19-10-20-45-46(42)43-31-41(27-28-44(43)53-45)39-18-9-17-38(30-39)40-26-23-33-13-7-8-16-37(33)29-40/h1-31,48H,(H,50,51,52)
InChIKeyJTHAYMUZZPMINR-UHFFFAOYSA-N
MW679.82 g/mol
LogP12.24
Rot. Bonds6

About 6-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine

6-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine (PubChem CID 137285203) has the molecular formula C49H33N3O and a molecular weight of 679.82 g/mol. Its IUPAC name is 6-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name6-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
PubChem CID137285203
Molecular FormulaC49H33N3O
Molecular Weight679.82 g/mol
Exact Mass679.26
IUPAC Name6-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc(-c4ccccc4)cc3)NC(c3cccc4oc5ccc(-c6cccc(-c7ccc8ccccc8c7)c6)cc5c34)=N2)cc1
InChIInChI=1S/C49H33N3O/c1-3-11-32(12-4-1)34-21-24-36(25-22-34)48-50-47(35-14-5-2-6-15-35)51-49(52-48)42-19-10-20-45-46(42)43-31-41(27-28-44(43)53-45)39-18-9-17-38(30-39)40-26-23-33-13-7-8-16-37(33)29-40/h1-31,48H,(H,50,51,52)
InChIKeyJTHAYMUZZPMINR-UHFFFAOYSA-N
XLogP12.24
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.82
LogP ≤ 512.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-2-yl-4-phenanthren-9-yl-6-(8-phenyldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 167029547
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[3-(8-phenyldibenzofuran-1-yl)phenyl]-1,2-dihydro-1,3,5-triazine
CID 167030113
2,4-diphenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 166961389
4-(4-naphthalen-2-ylphenyl)-2-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 156553943
6-(3-dibenzofuran-2-yldibenzofuran-1-yl)-2-naphthalen-2-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 167007408
2,4-diphenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 166961451
2-phenyl-6-(3-phenylphenyl)-4-[2-[8-(3-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine
CID 167029717
6-(9-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167029850
4-dibenzofuran-4-yl-6-(8-phenanthren-3-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 137301524
2-[8-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163582620
4-[3-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 166867441
2-dibenzothiophen-1-yl-6-[7-[8-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-phenyl-1,2-dihydro-1,3,5-triazine
CID 167029862

Frequently Asked Questions

What is the IUPAC name of 6-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 6-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine (CID 137285203) is 6-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 6-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 6-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccc(-c4ccccc4)cc3)NC(c3cccc4oc5ccc(-c6cccc(-c7ccc8ccccc8c7)c6)cc5c34)=N2)cc1.
What is the InChIKey of 6-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
The InChIKey is JTHAYMUZZPMINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3O/c1-3-11-32(12-4-1)34-21-24-36(25-22-34)48-50-47(35-14-5-2-6-15-35)51-49(52-48)42-19-10-20-45-46(42)43-31-41(27-28-44(43)53-45)39-18-9-17-38(30-39)40-26-23-33-13-7-8-16-37(33)29-40/h1-31,48H,(H,50,51,52).
What are the key properties of 6-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
6-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine has a molecular weight of 679.82 g/mol, XLogP of 12.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 137285203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).