2-[5-(6,7-dihydrodibenzofuran-1-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

C43H29N3O — CID 170424026

IUPAC2-[5-(6,7-dihydrodibenzofuran-1-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESC1=Cc2c(oc3cccc(-c4cccc5c(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)n6)cccc45)c23)CC1
InChIInChI=1S/C43H29N3O/c1-3-12-28(13-4-1)29-24-26-31(27-25-29)42-44-41(30-14-5-2-6-15-30)45-43(46-42)36-21-10-17-32-33(18-9-19-34(32)36)35-20-11-23-39-40(35)37-16-7-8-22-38(37)47-39/h1-7,9-21,23-27H,8,22H2
InChIKeyDCWLFOUQDXIGKT-UHFFFAOYSA-N
MW603.73 g/mol
LogP11.07
Rot. Bonds5

About 2-[5-(6,7-dihydrodibenzofuran-1-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

2-[5-(6,7-dihydrodibenzofuran-1-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 170424026) has the molecular formula C43H29N3O and a molecular weight of 603.73 g/mol. Its IUPAC name is 2-[5-(6,7-dihydrodibenzofuran-1-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[5-(6,7-dihydrodibenzofuran-1-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID170424026
Molecular FormulaC43H29N3O
Molecular Weight603.73 g/mol
Exact Mass603.23
IUPAC Name2-[5-(6,7-dihydrodibenzofuran-1-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESC1=Cc2c(oc3cccc(-c4cccc5c(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)n6)cccc45)c23)CC1
InChIInChI=1S/C43H29N3O/c1-3-12-28(13-4-1)29-24-26-31(27-25-29)42-44-41(30-14-5-2-6-15-30)45-43(46-42)36-21-10-17-32-33(18-9-19-34(32)36)35-20-11-23-39-40(35)37-16-7-8-22-38(37)47-39/h1-7,9-21,23-27H,8,22H2
InChIKeyDCWLFOUQDXIGKT-UHFFFAOYSA-N
XLogP11.07
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.73
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-(6,7-dihydrodibenzofuran-1-yl)-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 146407661
2-dibenzothiophen-4-yl-4-[4-[8-(6,7-dihydrodibenzofuran-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 167008444
2-[6-(6,7-dihydrodibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-3-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171587095
2-dibenzofuran-1-yl-4-(6,7-dihydrodibenzofuran-1-yl)-6-phenanthren-3-yl-1,3,5-triazine
CID 167008000
2-(6,7-dihydrodibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine
CID 167007593
2-dibenzofuran-2-yl-4-[6-(3,4-dihydronaphtho[3,2-b][1]benzofuran-11-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743573
2-[3-(6,7-dihydrodibenzofuran-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 174327481
2-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 170008977
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2-[5-(8-naphthalen-2-yldibenzofuran-1-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742938
2-(6,7-dihydrodibenzofuran-3-yl)-4-[4-(3-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 167007473

Frequently Asked Questions

What is the IUPAC name of 2-[5-(6,7-dihydrodibenzofuran-1-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[5-(6,7-dihydrodibenzofuran-1-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 170424026) is 2-[5-(6,7-dihydrodibenzofuran-1-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[5-(6,7-dihydrodibenzofuran-1-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[5-(6,7-dihydrodibenzofuran-1-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is C1=Cc2c(oc3cccc(-c4cccc5c(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)n6)cccc45)c23)CC1.
What is the InChIKey of 2-[5-(6,7-dihydrodibenzofuran-1-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is DCWLFOUQDXIGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3O/c1-3-12-28(13-4-1)29-24-26-31(27-25-29)42-44-41(30-14-5-2-6-15-30)45-43(46-42)36-21-10-17-32-33(18-9-19-34(32)36)35-20-11-23-39-40(35)37-16-7-8-22-38(37)47-39/h1-7,9-21,23-27H,8,22H2.
What are the key properties of 2-[5-(6,7-dihydrodibenzofuran-1-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-[5-(6,7-dihydrodibenzofuran-1-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 603.73 g/mol, XLogP of 11.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6,7-dihydrodibenzofuran-1-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 170424026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).