2-dibenzofuran-1-yl-4-(3-methylphenyl)-6-(3-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine

C44H27N3O2 — CID 177112488

IUPAC2-dibenzofuran-1-yl-4-(3-methylphenyl)-6-(3-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine
SMILESCc1cccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3cc(-c4cccc5ccccc45)cc4oc5ccccc5c34)n2)c1
InChIInChI=1S/C44H27N3O2/c1-26-11-8-14-28(23-26)42-45-43(34-19-10-22-38-40(34)32-16-4-6-20-36(32)48-38)47-44(46-42)35-24-29(31-18-9-13-27-12-2-3-15-30(27)31)25-39-41(35)33-17-5-7-21-37(33)49-39/h2-25H,1H3
InChIKeyIXVPNQRCWAQZJH-UHFFFAOYSA-N
MW629.72 g/mol
LogP11.80
Rot. Bonds4

About 2-dibenzofuran-1-yl-4-(3-methylphenyl)-6-(3-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine

2-dibenzofuran-1-yl-4-(3-methylphenyl)-6-(3-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine (PubChem CID 177112488) has the molecular formula C44H27N3O2 and a molecular weight of 629.72 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(3-methylphenyl)-6-(3-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-(3-methylphenyl)-6-(3-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine
PubChem CID177112488
Molecular FormulaC44H27N3O2
Molecular Weight629.72 g/mol
Exact Mass629.21
IUPAC Name2-dibenzofuran-1-yl-4-(3-methylphenyl)-6-(3-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine
SMILESCc1cccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3cc(-c4cccc5ccccc45)cc4oc5ccccc5c34)n2)c1
InChIInChI=1S/C44H27N3O2/c1-26-11-8-14-28(23-26)42-45-43(34-19-10-22-38-40(34)32-16-4-6-20-36(32)48-38)47-44(46-42)35-24-29(31-18-9-13-27-12-2-3-15-30(27)31)25-39-41(35)33-17-5-7-21-37(33)49-39/h2-25H,1H3
InChIKeyIXVPNQRCWAQZJH-UHFFFAOYSA-N
XLogP11.80
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.72
LogP ≤ 511.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-naphthalen-1-yldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177112661
2,4-diphenyl-6-[3-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742275
2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742796
2-dibenzofuran-1-yl-4-(1-phenyldibenzofuran-3-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177112653
2-dibenzofuran-1-yl-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 163770145
2-(3-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 164951936
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 139304343
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 166743692
2-dibenzofuran-1-yl-4-phenyl-6-[3-(6-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 177130837
2-dibenzofuran-1-yl-4-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 177112862
2,4-diphenyl-6-[3-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 148977873
2,4-di(dibenzofuran-1-yl)-6-phenanthren-3-yl-1,3,5-triazine
CID 165043779

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-(3-methylphenyl)-6-(3-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-(3-methylphenyl)-6-(3-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine (CID 177112488) is 2-dibenzofuran-1-yl-4-(3-methylphenyl)-6-(3-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-(3-methylphenyl)-6-(3-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-(3-methylphenyl)-6-(3-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine is Cc1cccc(-c2nc(-c3cccc4oc5ccccc5c34)nc(-c3cc(-c4cccc5ccccc45)cc4oc5ccccc5c34)n2)c1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-(3-methylphenyl)-6-(3-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine?
The InChIKey is IXVPNQRCWAQZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N3O2/c1-26-11-8-14-28(23-26)42-45-43(34-19-10-22-38-40(34)32-16-4-6-20-36(32)48-38)47-44(46-42)35-24-29(31-18-9-13-27-12-2-3-15-30(27)31)25-39-41(35)33-17-5-7-21-37(33)49-39/h2-25H,1H3.
What are the key properties of 2-dibenzofuran-1-yl-4-(3-methylphenyl)-6-(3-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine?
2-dibenzofuran-1-yl-4-(3-methylphenyl)-6-(3-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine has a molecular weight of 629.72 g/mol, XLogP of 11.80, 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-methylphenyl)-6-(3-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine is sourced from PubChem (CID 177112488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).