2-dibenzofuran-1-yl-4-(3-dibenzofuran-1-ylphenyl)-6-(3-methyl-3,4-dihydronaphthalen-2-yl)-1,3,5-triazine

C44H29N3O2 — CID 170123498

IUPAC2-dibenzofuran-1-yl-4-(3-dibenzofuran-1-ylphenyl)-6-(3-methyl-3,4-dihydronaphthalen-2-yl)-1,3,5-triazine
SMILESCC1Cc2ccccc2C=C1c1nc(-c2cccc(-c3cccc4oc5ccccc5c34)c2)nc(-c2cccc3oc4ccccc4c23)n1
InChIInChI=1S/C44H29N3O2/c1-26-23-27-11-2-3-12-28(27)25-35(26)44-46-42(45-43(47-44)34-18-10-22-39-41(34)33-16-5-7-20-37(33)49-39)30-14-8-13-29(24-30)31-17-9-21-38-40(31)32-15-4-6-19-36(32)48-38/h2-22,24-26H,23H2,1H3
InChIKeyGLLCHSYPFOSGRO-UHFFFAOYSA-N
MW631.74 g/mol
LogP11.40
Rot. Bonds4

About 2-dibenzofuran-1-yl-4-(3-dibenzofuran-1-ylphenyl)-6-(3-methyl-3,4-dihydronaphthalen-2-yl)-1,3,5-triazine

2-dibenzofuran-1-yl-4-(3-dibenzofuran-1-ylphenyl)-6-(3-methyl-3,4-dihydronaphthalen-2-yl)-1,3,5-triazine (PubChem CID 170123498) has the molecular formula C44H29N3O2 and a molecular weight of 631.74 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(3-dibenzofuran-1-ylphenyl)-6-(3-methyl-3,4-dihydronaphthalen-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-(3-dibenzofuran-1-ylphenyl)-6-(3-methyl-3,4-dihydronaphthalen-2-yl)-1,3,5-triazine
PubChem CID170123498
Molecular FormulaC44H29N3O2
Molecular Weight631.74 g/mol
Exact Mass631.23
IUPAC Name2-dibenzofuran-1-yl-4-(3-dibenzofuran-1-ylphenyl)-6-(3-methyl-3,4-dihydronaphthalen-2-yl)-1,3,5-triazine
SMILESCC1Cc2ccccc2C=C1c1nc(-c2cccc(-c3cccc4oc5ccccc5c34)c2)nc(-c2cccc3oc4ccccc4c23)n1
InChIInChI=1S/C44H29N3O2/c1-26-23-27-11-2-3-12-28(27)25-35(26)44-46-42(45-43(47-44)34-18-10-22-39-41(34)33-16-5-7-20-37(33)49-39)30-14-8-13-29(24-30)31-17-9-21-38-40(31)32-15-4-6-19-36(32)48-38/h2-22,24-26H,23H2,1H3
InChIKeyGLLCHSYPFOSGRO-UHFFFAOYSA-N
XLogP11.40
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.74
LogP ≤ 511.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[7-(9,10-dihydronaphtho[2,3-b][1]benzofuran-1-yl)dibenzofuran-1-yl]-4-(3-methyl-3,4-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 167007286
2-(7-dibenzofuran-1-yl-3-methyl-3,4-dihydronaphthalen-2-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 167007994
2-(3-dibenzofuran-1-ylphenyl)-4-(1,2-dihydronaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 167008024
2-(7-dibenzofuran-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741824
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 139303458
2-(3-dibenzofuran-1-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164942447
2,4-bis(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2,4-bis(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-dibenzofuran-4-yl-1,3,5-triazine
CID 165081213
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2-dibenzofuran-1-yl-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 162504507
2-dibenzofuran-1-yl-4-(7-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167008364
2-dibenzofuran-1-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741540

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-(3-dibenzofuran-1-ylphenyl)-6-(3-methyl-3,4-dihydronaphthalen-2-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-(3-dibenzofuran-1-ylphenyl)-6-(3-methyl-3,4-dihydronaphthalen-2-yl)-1,3,5-triazine (CID 170123498) is 2-dibenzofuran-1-yl-4-(3-dibenzofuran-1-ylphenyl)-6-(3-methyl-3,4-dihydronaphthalen-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-(3-dibenzofuran-1-ylphenyl)-6-(3-methyl-3,4-dihydronaphthalen-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-(3-dibenzofuran-1-ylphenyl)-6-(3-methyl-3,4-dihydronaphthalen-2-yl)-1,3,5-triazine is CC1Cc2ccccc2C=C1c1nc(-c2cccc(-c3cccc4oc5ccccc5c34)c2)nc(-c2cccc3oc4ccccc4c23)n1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-(3-dibenzofuran-1-ylphenyl)-6-(3-methyl-3,4-dihydronaphthalen-2-yl)-1,3,5-triazine?
The InChIKey is GLLCHSYPFOSGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3O2/c1-26-23-27-11-2-3-12-28(27)25-35(26)44-46-42(45-43(47-44)34-18-10-22-39-41(34)33-16-5-7-20-37(33)49-39)30-14-8-13-29(24-30)31-17-9-21-38-40(31)32-15-4-6-19-36(32)48-38/h2-22,24-26H,23H2,1H3.
What are the key properties of 2-dibenzofuran-1-yl-4-(3-dibenzofuran-1-ylphenyl)-6-(3-methyl-3,4-dihydronaphthalen-2-yl)-1,3,5-triazine?
2-dibenzofuran-1-yl-4-(3-dibenzofuran-1-ylphenyl)-6-(3-methyl-3,4-dihydronaphthalen-2-yl)-1,3,5-triazine has a molecular weight of 631.74 g/mol, XLogP of 11.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-(3-dibenzofuran-1-ylphenyl)-6-(3-methyl-3,4-dihydronaphthalen-2-yl)-1,3,5-triazine is sourced from PubChem (CID 170123498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).